 Entering Gaussian System, Link 0=g16
 Input=05_alphapinene_STD_M11-def2SVPDr.in
 Output=05_alphapinene_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
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                 11.124501923            0.44241976651
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            ****
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            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
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            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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                  2.2546815460           0.72619456861
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            P    3   1.00
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                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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                  2.5207180000          -1.0707548832
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
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                 11.547491000            1.5261602829
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
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            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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            S    1   1.00
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                  6.3036410000          -0.56379438345
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                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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            P    4   1.00
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                  6.2456140000          -0.44863071815131
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                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
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            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
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            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/05_alphapinene_STD/Gau-5189.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/05_alphapinene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      5191.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=05_alphapinene_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 13:55:59 2021, MaxMem= 10737418240 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "05_alphapinene_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.503651000000      0.908216000000      0.507488000000
  C                                                 0.290384000000      1.804712000000      0.536372000000
  C                                                 1.436486000000     -0.280373000000     -0.092333000000
  C                                                 2.556356000000     -1.268228000000     -0.145852000000
  C                                                 0.123938000000     -0.632595000000     -0.761632000000
  C                                                -1.078310000000     -0.328744000000      0.207184000000
  C                                                -0.867453000000      1.159910000000     -0.235542000000
  C                                                -0.320490000000      0.612788000000     -1.578519000000
  H                                                 2.411320000000      1.240625000000      0.999510000000
  H                                                 0.526867000000      2.781351000000      0.099045000000
  H                                                -0.005727000000      2.005386000000      1.572636000000
  H                                                 3.449206000000     -0.892879000000      0.355226000000
  H                                                 2.817419000000     -1.510836000000     -1.180937000000
  H                                                 2.264835000000     -2.210108000000      0.330473000000
  H                                                 0.146974000000     -1.606808000000     -1.251700000000
  C                                                -0.951378000000     -0.684230000000      1.680802000000
  C                                                -2.395364000000     -0.902700000000     -0.314912000000
  H                                                -1.749053000000      1.803451000000     -0.256178000000
  H                                                -1.103985000000      0.399461000000     -2.300386000000
  H                                                 0.473946000000      1.180887000000     -2.060869000000
  H                                                -0.016390000000     -0.343402000000      2.118644000000
  H                                                -1.008073000000     -1.767780000000      1.815303000000
  H                                                -1.775477000000     -0.242117000000      2.247181000000
  H                                                -2.569985000000     -0.690863000000     -1.368440000000
  H                                                -3.236117000000     -0.490937000000      0.249338000000
  H                                                -2.412689000000     -1.987970000000     -0.187175000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12          12           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           0           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 23 13:55:59 2021, MaxMem= 10737418240 cpu:               2.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.503651    0.908216    0.507488
      2          6           0        0.290384    1.804712    0.536372
      3          6           0        1.436486   -0.280373   -0.092333
      4          6           0        2.556356   -1.268228   -0.145852
      5          6           0        0.123938   -0.632595   -0.761632
      6          6           0       -1.078310   -0.328744    0.207184
      7          6           0       -0.867453    1.159910   -0.235542
      8          6           0       -0.320490    0.612788   -1.578519
      9          1           0        2.411320    1.240625    0.999510
     10          1           0        0.526867    2.781351    0.099045
     11          1           0       -0.005727    2.005386    1.572636
     12          1           0        3.449206   -0.892879    0.355226
     13          1           0        2.817419   -1.510836   -1.180937
     14          1           0        2.264835   -2.210108    0.330473
     15          1           0        0.146974   -1.606808   -1.251700
     16          6           0       -0.951378   -0.684230    1.680802
     17          6           0       -2.395364   -0.902700   -0.314912
     18          1           0       -1.749053    1.803451   -0.256178
     19          1           0       -1.103985    0.399461   -2.300386
     20          1           0        0.473946    1.180887   -2.060869
     21          1           0       -0.016390   -0.343402    2.118644
     22          1           0       -1.008073   -1.767780    1.815303
     23          1           0       -1.775477   -0.242117    2.247181
     24          1           0       -2.569985   -0.690863   -1.368440
     25          1           0       -3.236117   -0.490937    0.249338
     26          1           0       -2.412689   -1.987970   -0.187175
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.508826   0.000000
     3  C    1.333057   2.460975   0.000000
     4  C    2.504386   3.878533   1.494266   0.000000
     5  C    2.426597   2.766403   1.514861   2.588411   0.000000
     6  C    2.878676   2.556036   2.533032   3.770684   1.573636
     7  C    2.497514   1.533691   2.720856   4.198377   2.114876
     8  C    2.786789   2.503321   2.468491   3.723842   1.554284
     9  H    1.084640   2.243003   2.110890   2.761745   3.441321
    10  H    2.151643   1.095903   3.199717   4.536286   3.543747
    11  H    2.148614   1.096264   3.174397   4.498224   3.524849
    12  H    2.655619   4.157880   2.150933   1.090480   3.517460
    13  H    3.229331   4.508649   2.146177   1.094721   2.863907
    14  H    3.214760   4.478798   2.142149   1.094992   2.874836
    15  H    3.355691   3.854379   2.183209   2.672575   1.090774
    16  C    3.152732   3.007744   3.001500   3.997739   2.669167
    17  C    4.376994   3.907430   3.888432   4.968070   2.572819
    18  H    3.459005   2.188022   3.810095   5.289984   3.114145
    19  H    3.865586   3.459218   3.433899   4.563036   2.222768
    20  H    2.780485   2.677408   2.633799   3.741909   2.258150
    21  H    2.544189   2.685533   2.646364   3.549967   2.898157
    22  H    3.896164   4.010530   3.439088   4.098882   3.034912
    23  H    3.886191   3.374042   3.973851   5.054136   3.579554
    24  H    4.761373   4.247107   4.224779   5.301645   2.762034
    25  H    4.948704   4.217654   4.689808   5.857738   3.511709
    26  H    4.920180   4.713233   4.212010   5.021070   2.932835
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.567341   0.000000
     8  C    2.156272   1.549870   0.000000
     9  H    3.907457   3.504600   3.808307   0.000000
    10  H    3.501568   2.164520   2.869652   2.595349   0.000000
    11  H    2.909133   2.174146   3.459506   2.599125   1.748499
    12  H    4.564928   4.816274   4.496333   2.458485   4.701666
    13  H    4.301270   4.648111   3.809767   3.534092   5.030691
    14  H    3.838144   4.635582   4.277487   3.518043   5.290440
    15  H    2.294147   3.117109   2.291711   4.278210   4.607035
    16  C    1.521194   2.660878   3.564190   3.934077   4.086247
    17  C    1.528608   2.568107   2.863304   5.424551   4.720490
    18  H    2.282730   1.091691   2.281898   4.382035   2.502456
    19  H    2.611293   2.213100   1.086492   4.894307   3.753711
    20  H    3.135690   2.265306   1.089278   3.622555   2.688776
    21  H    2.186680   2.920008   3.830899   3.107310   3.760052
    22  H    2.159121   3.577305   4.202131   4.626907   5.098644
    23  H    2.157576   2.992340   4.181367   4.613510   4.365391
    24  H    2.199731   2.758158   2.608422   5.843906   4.878553
    25  H    2.164305   2.927623   3.613883   5.954377   4.989039
    26  H    2.165437   3.507028   3.616224   5.924788   5.609753
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.671037   0.000000
    13  H    5.283572   1.772237   0.000000
    14  H    4.946596   1.771564   1.754620   0.000000
    15  H    4.587825   3.741209   2.673106   2.711564   0.000000
    16  C    2.853067   4.600633   4.803817   3.807324   3.264521
    17  C    4.210720   5.882872   5.319110   4.882959   2.799433
    18  H    2.534664   5.887776   5.717722   5.706497   4.026891
    19  H    4.334220   5.427151   4.503311   5.008015   2.586456
    20  H    3.756627   4.357774   3.675802   4.519364   2.921114
    21  H    2.411440   3.927076   4.503400   3.447627   3.603068
    22  H    3.911568   4.771228   4.865990   3.621091   3.281243
    23  H    2.939098   5.594667   5.869952   4.885783   4.219048
    24  H    4.742901   6.264383   5.452672   5.345081   2.869573
    25  H    4.291639   6.698232   6.303267   5.763905   3.865694
    26  H    4.983703   5.987924   5.345021   4.711320   2.798280
                   16         17         18         19         20
    16  C    0.000000
    17  C    2.472994   0.000000
    18  H    3.252189   2.782880   0.000000
    19  H    4.128866   2.702848   2.562438   0.000000
    20  H    4.417048   3.952549   2.930225   1.777037   0.000000
    21  H    1.087231   3.448844   3.640176   4.611132   4.475736
    22  H    1.093337   2.685285   4.194494   4.652422   5.090749
    23  H    1.093338   2.717527   3.232933   4.641432   5.064004
    24  H    3.452218   1.088710   2.851782   2.050972   3.639838
    25  H    2.703051   1.093066   2.780490   3.440914   4.679382
    26  H    2.706382   1.092899   3.849681   3.446476   4.678146
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.761903   0.000000
    23  H    1.766683   1.761555   0.000000
    24  H    4.336050   3.706149   3.728985   0.000000
    25  H    3.725951   3.007782   2.487319   1.760939   0.000000
    26  H    3.709940   2.455880   3.062700   1.761424   1.763430
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.503651    0.908216    0.507488
      2          6           0        0.290384    1.804712    0.536372
      3          6           0        1.436486   -0.280373   -0.092333
      4          6           0        2.556356   -1.268228   -0.145852
      5          6           0        0.123938   -0.632595   -0.761632
      6          6           0       -1.078310   -0.328744    0.207184
      7          6           0       -0.867453    1.159910   -0.235542
      8          6           0       -0.320490    0.612788   -1.578519
      9          1           0        2.411320    1.240625    0.999510
     10          1           0        0.526867    2.781351    0.099045
     11          1           0       -0.005727    2.005386    1.572636
     12          1           0        3.449206   -0.892879    0.355226
     13          1           0        2.817419   -1.510836   -1.180937
     14          1           0        2.264835   -2.210108    0.330473
     15          1           0        0.146974   -1.606808   -1.251700
     16          6           0       -0.951378   -0.684230    1.680802
     17          6           0       -2.395364   -0.902700   -0.314912
     18          1           0       -1.749053    1.803451   -0.256178
     19          1           0       -1.103985    0.399461   -2.300386
     20          1           0        0.473946    1.180887   -2.060869
     21          1           0       -0.016390   -0.343402    2.118644
     22          1           0       -1.008073   -1.767780    1.815303
     23          1           0       -1.775477   -0.242117    2.247181
     24          1           0       -2.569985   -0.690863   -1.368440
     25          1           0       -3.236117   -0.490937    0.249338
     26          1           0       -2.412689   -1.987970   -0.187175
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9468256           1.2329030           1.1311138
 Leave Link  202 at Fri Jul 23 13:56:00 2021, MaxMem= 10737418240 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     18     19     20
 Centers:      21     22     23     24     25     26
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     16     17
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   348 symmetry adapted cartesian basis functions of A   symmetry.
 There are   328 symmetry adapted basis functions of A   symmetry.
   328 basis functions,   480 primitive gaussians,   348 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       568.6660221298 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 13:56:01 2021, MaxMem= 10737418240 cpu:              13.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   328 RedAO= T EigKep=  1.36D-05  NBF=   328
 NBsUse=   328 1.00D-06 EigRej= -1.00D+00 NBFU=   328
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   348   348   348   348   348 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Fri Jul 23 13:56:02 2021, MaxMem= 10737418240 cpu:               8.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 13:56:02 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "05_alphapinene_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 13:56:03 2021, MaxMem= 10737418240 cpu:              10.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737166926 LenY= 10737045381
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.102733219617    
 DIIS: error= 4.15D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.102733219617     IErMin= 1 ErrMin= 4.15D-03
 ErrMax= 4.15D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-02 BMatP= 1.33D-02
 IDIUse=3 WtCom= 9.59D-01 WtEn= 4.15D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.419 Goal=   None    Shift=    0.000
 GapD=    0.419 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.30D-02 MaxDP=1.26D+00              OVMax= 1.81D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.14D-02    CP:  1.27D+00
 E= -390.117410548657     Delta-E=       -0.014677329040 Rises=F Damp=F
 DIIS: error= 4.95D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.117410548657     IErMin= 2 ErrMin= 4.95D-04
 ErrMax= 4.95D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.82D-04 BMatP= 1.33D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.95D-03
 Coeff-Com: -0.947D-01 0.109D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.942D-01 0.109D+01
 Gap=     0.370 Goal=   None    Shift=    0.000
 RMSDP=2.46D-03 MaxDP=2.57D-01 DE=-1.47D-02 OVMax= 4.85D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.39D-04    CP:  1.33D+00  1.16D+00
 E= -390.117962434270     Delta-E=       -0.000551885613 Rises=F Damp=F
 DIIS: error= 1.47D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.117962434270     IErMin= 3 ErrMin= 1.47D-04
 ErrMax= 1.47D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.26D-05 BMatP= 2.82D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.47D-03
 Coeff-Com: -0.243D-01 0.112D+00 0.912D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.243D-01 0.112D+00 0.912D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.80D-04 MaxDP=1.06D-02 DE=-5.52D-04 OVMax= 1.23D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.29D-04    CP:  1.33D+00  1.17D+00  1.04D+00
 E= -390.117988312149     Delta-E=       -0.000025877879 Rises=F Damp=F
 DIIS: error= 4.73D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.117988312149     IErMin= 4 ErrMin= 4.73D-05
 ErrMax= 4.73D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.31D-06 BMatP= 2.26D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.499D-03-0.510D-01 0.267D+00 0.785D+00
 Coeff:     -0.499D-03-0.510D-01 0.267D+00 0.785D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=4.98D-05 MaxDP=2.89D-03 DE=-2.59D-05 OVMax= 6.60D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.19D-05    CP:  1.34D+00  1.17D+00  1.07D+00  1.04D+00
 E= -390.117992931641     Delta-E=       -0.000004619492 Rises=F Damp=F
 DIIS: error= 2.42D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.117992931641     IErMin= 5 ErrMin= 2.42D-05
 ErrMax= 2.42D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.92D-07 BMatP= 4.31D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.175D-02-0.246D-01 0.934D-02 0.270D+00 0.743D+00
 Coeff:      0.175D-02-0.246D-01 0.934D-02 0.270D+00 0.743D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.31D-05 MaxDP=5.25D-04 DE=-4.62D-06 OVMax= 2.65D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.04D-05    CP:  1.34D+00  1.17D+00  1.08D+00  1.08D+00  9.43D-01
 E= -390.117993434543     Delta-E=       -0.000000502902 Rises=F Damp=F
 DIIS: error= 6.22D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.117993434543     IErMin= 6 ErrMin= 6.22D-06
 ErrMax= 6.22D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.86D-08 BMatP= 4.92D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.658D-03-0.584D-02-0.154D-01 0.448D-01 0.265D+00 0.711D+00
 Coeff:      0.658D-03-0.584D-02-0.154D-01 0.448D-01 0.265D+00 0.711D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=5.36D-06 MaxDP=4.49D-04 DE=-5.03D-07 OVMax= 7.89D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.58D-06    CP:  1.33D+00  1.17D+00  1.08D+00  1.09D+00  9.89D-01
                    CP:  1.02D+00
 E= -390.117993479959     Delta-E=       -0.000000045416 Rises=F Damp=F
 DIIS: error= 1.36D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.117993479959     IErMin= 7 ErrMin= 1.36D-06
 ErrMax= 1.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.89D-09 BMatP= 3.86D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.682D-04 0.177D-02-0.481D-02-0.225D-01-0.357D-01 0.161D+00
 Coeff-Com:  0.900D+00
 Coeff:     -0.682D-04 0.177D-02-0.481D-02-0.225D-01-0.357D-01 0.161D+00
 Coeff:      0.900D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.76D-06 MaxDP=7.15D-05 DE=-4.54D-08 OVMax= 2.31D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.08D-06    CP:  1.33D+00  1.17D+00  1.08D+00  1.09D+00  1.00D+00
                    CP:  1.11D+00  1.07D+00
 E= -390.117993484193     Delta-E=       -0.000000004234 Rises=F Damp=F
 DIIS: error= 4.58D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.117993484193     IErMin= 8 ErrMin= 4.58D-07
 ErrMax= 4.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-10 BMatP= 2.89D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.741D-04 0.109D-02-0.553D-03-0.107D-01-0.332D-01 0.132D-02
 Coeff-Com:  0.288D+00 0.754D+00
 Coeff:     -0.741D-04 0.109D-02-0.553D-03-0.107D-01-0.332D-01 0.132D-02
 Coeff:      0.288D+00 0.754D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=5.19D-07 MaxDP=2.00D-05 DE=-4.23D-09 OVMax= 6.56D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.56D-07    CP:  1.33D+00  1.17D+00  1.08D+00  1.10D+00  1.00D+00
                    CP:  1.13D+00  1.10D+00  1.15D+00
 E= -390.117993484643     Delta-E=       -0.000000000450 Rises=F Damp=F
 DIIS: error= 1.42D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.117993484643     IErMin= 9 ErrMin= 1.42D-07
 ErrMax= 1.42D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.84D-11 BMatP= 3.00D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.121D-04 0.904D-04 0.293D-03-0.315D-03-0.538D-02-0.156D-01
 Coeff-Com: -0.258D-01 0.204D+00 0.843D+00
 Coeff:     -0.121D-04 0.904D-04 0.293D-03-0.315D-03-0.538D-02-0.156D-01
 Coeff:     -0.258D-01 0.204D+00 0.843D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.89D-07 MaxDP=7.11D-06 DE=-4.50D-10 OVMax= 2.46D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.19D-07    CP:  1.33D+00  1.17D+00  1.08D+00  1.10D+00  1.01D+00
                    CP:  1.13D+00  1.12D+00  1.22D+00  1.07D+00
 E= -390.117993484630     Delta-E=        0.000000000014 Rises=F Damp=F
 DIIS: error= 4.16D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -390.117993484643     IErMin=10 ErrMin= 4.16D-08
 ErrMax= 4.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-12 BMatP= 2.84D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.431D-05-0.791D-04 0.911D-04 0.961D-03 0.201D-02-0.215D-02
 Coeff-Com: -0.327D-01-0.264D-01 0.153D+00 0.905D+00
 Coeff:      0.431D-05-0.791D-04 0.911D-04 0.961D-03 0.201D-02-0.215D-02
 Coeff:     -0.327D-01-0.264D-01 0.153D+00 0.905D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=6.53D-08 MaxDP=2.30D-06 DE= 1.35D-11 OVMax= 8.57D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.03D-08    CP:  1.33D+00  1.17D+00  1.08D+00  1.10D+00  1.01D+00
                    CP:  1.13D+00  1.12D+00  1.24D+00  1.14D+00  1.12D+00
 E= -390.117993484643     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 1.48D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -390.117993484643     IErMin=11 ErrMin= 1.48D-08
 ErrMax= 1.48D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-13 BMatP= 1.67D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.190D-05-0.285D-04 0.110D-04 0.300D-03 0.863D-03 0.599D-03
 Coeff-Com: -0.814D-02-0.187D-01-0.103D-01 0.262D+00 0.773D+00
 Coeff:      0.190D-05-0.285D-04 0.110D-04 0.300D-03 0.863D-03 0.599D-03
 Coeff:     -0.814D-02-0.187D-01-0.103D-01 0.262D+00 0.773D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.46D-08 MaxDP=1.25D-06 DE=-1.30D-11 OVMax= 2.60D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  8.86D-09    CP:  1.33D+00  1.17D+00  1.08D+00  1.10D+00  1.01D+00
                    CP:  1.13D+00  1.12D+00  1.25D+00  1.14D+00  1.19D+00
                    CP:  1.18D+00
 E= -390.117993484644     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 4.88D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -390.117993484644     IErMin=12 ErrMin= 4.88D-09
 ErrMax= 4.88D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.41D-14 BMatP= 2.13D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.303D-06 0.722D-05-0.120D-04-0.996D-04-0.203D-03 0.553D-03
 Coeff-Com:  0.353D-02 0.173D-02-0.288D-01-0.109D+00 0.127D+00 0.101D+01
 Coeff:     -0.303D-06 0.722D-05-0.120D-04-0.996D-04-0.203D-03 0.553D-03
 Coeff:      0.353D-02 0.173D-02-0.288D-01-0.109D+00 0.127D+00 0.101D+01
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=8.38D-09 MaxDP=1.15D-06 DE=-1.02D-12 OVMax= 1.68D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  3.66D-09    CP:  1.33D+00  1.17D+00  1.08D+00  1.10D+00  1.01D+00
                    CP:  1.13D+00  1.12D+00  1.25D+00  1.14D+00  1.21D+00
                    CP:  1.33D+00  1.13D+00
 E= -390.117993484625     Delta-E=        0.000000000019 Rises=F Damp=F
 DIIS: error= 1.05D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -390.117993484644     IErMin=13 ErrMin= 1.05D-09
 ErrMax= 1.05D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-15 BMatP= 2.41D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.166D-06 0.291D-05-0.254D-05-0.330D-04-0.972D-04 0.763D-04
 Coeff-Com:  0.103D-02 0.175D-02-0.416D-02-0.342D-01-0.294D-01 0.166D+00
 Coeff-Com:  0.899D+00
 Coeff:     -0.166D-06 0.291D-05-0.254D-05-0.330D-04-0.972D-04 0.763D-04
 Coeff:      0.103D-02 0.175D-02-0.416D-02-0.342D-01-0.294D-01 0.166D+00
 Coeff:      0.899D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.81D-09 MaxDP=1.38D-07 DE= 1.86D-11 OVMax= 3.39D-08

 SCF Done:  E(RM11) =  -390.117993485     A.U. after   13 cycles
            NFock= 13  Conv=0.18D-08     -V/T= 2.0132
 KE= 3.850299011732D+02 PE=-2.037820623194D+03 EE= 6.940067064061D+02
 Leave Link  502 at Fri Jul 23 13:58:41 2021, MaxMem= 10737418240 cpu:            2509.5 elap:             157.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   328
 NBasis=   328 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    328 NOA=    38 NOB=    38 NVA=   290 NVB=   290

 **** Warning!!: The largest alpha MO coefficient is  0.56816782D+02

 Leave Link  801 at Fri Jul 23 13:58:42 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7861 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.84D-13 8.33D-09 XBig12= 1.00D+00 2.67D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.84D-13 8.33D-09 XBig12= 1.56D-01 4.72D-02.
     11 vectors produced by pass  2 Test12= 1.84D-13 8.33D-09 XBig12= 2.97D-02 4.94D-02.
     11 vectors produced by pass  3 Test12= 1.84D-13 8.33D-09 XBig12= 1.85D-03 8.21D-03.
     11 vectors produced by pass  4 Test12= 1.84D-13 8.33D-09 XBig12= 1.08D-04 1.49D-03.
     11 vectors produced by pass  5 Test12= 1.84D-13 8.33D-09 XBig12= 1.10D-05 4.23D-04.
     11 vectors produced by pass  6 Test12= 1.84D-13 8.33D-09 XBig12= 6.34D-07 1.18D-04.
     11 vectors produced by pass  7 Test12= 1.84D-13 8.33D-09 XBig12= 1.72D-08 1.87D-05.
     11 vectors produced by pass  8 Test12= 1.84D-13 8.33D-09 XBig12= 3.70D-10 2.33D-06.
     11 vectors produced by pass  9 Test12= 1.84D-13 8.33D-09 XBig12= 8.06D-12 3.38D-07.
      7 vectors produced by pass 10 Test12= 1.84D-13 8.33D-09 XBig12= 1.37D-13 4.93D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 6.39D-14
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.121253D+03
      2 -0.861664D-01  0.118442D+03
      3  0.384705D+00  0.462431D+01  0.106202D+03
 Isotropic polarizability for W=    0.093368      115.30 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.112126D+02 -0.362464D+02  0.197939D+01
      2   0.549528D+01  0.184014D+02  0.756512D+01
      3  -0.167079D+02  0.178451D+02 -0.954451D+01
      4  -0.364134D+02  0.335215D+02  0.264235D+02
      5   0.140403D+02  0.237863D+02 -0.193620D+02
      6   0.979453D+01  0.184126D+02  0.105252D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.223237D+00  0.284077D+01  0.443255D+01
      2   0.374626D+01  0.153182D+02 -0.330303D+01
      3   0.727752D+01 -0.222878D+02 -0.142257D+02
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.263721D+01  0.108474D+02  0.167926D+02
      2  -0.120610D+02  0.166290D+02 -0.265414D+01
      3  -0.166989D+00 -0.280263D+02 -0.139918D+02
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.113058D+00 -0.179845D+01 -0.849322D+00
      2  -0.179845D+01 -0.306723D+01  0.256267D+01
      3  -0.849322D+00  0.256267D+01  0.404954D+01
 OR G Eigenvalues:    -4.4079     0.0394     5.2378  Iso=    -0.2898
 Eigenvectors:
   (1)   0.333515   0.911009  -0.242550
   (2)   0.907158  -0.240100   0.345567
   (3)  -0.256578   0.335282   0.906506
 w=    0.093368 a.u., Optical Rotation Beta=     -0.2898 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 4880.0 A) =     -119.88 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   53956 ScalPx= 3.53D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.98D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.06D-14 2.78D-09 XBig12= 1.00D+00 3.54D-01.
     30 vectors produced by pass  1 Test12= 3.06D-14 2.78D-09 XBig12= 5.09D-02 2.24D-02.
     30 vectors produced by pass  2 Test12= 3.06D-14 2.78D-09 XBig12= 3.80D-03 6.78D-03.
     30 vectors produced by pass  3 Test12= 3.06D-14 2.78D-09 XBig12= 4.47D-05 6.54D-04.
     30 vectors produced by pass  4 Test12= 3.06D-14 2.78D-09 XBig12= 5.80D-07 7.87D-05.
     30 vectors produced by pass  5 Test12= 3.06D-14 2.78D-09 XBig12= 8.41D-09 9.40D-06.
     30 vectors produced by pass  6 Test12= 3.06D-14 2.78D-09 XBig12= 1.07D-10 1.17D-06.
     30 vectors produced by pass  7 Test12= 3.06D-14 2.78D-09 XBig12= 1.11D-12 7.81D-08.
     13 vectors produced by pass  8 Test12= 3.06D-14 2.78D-09 XBig12= 1.09D-14 8.97D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   253 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 4.02D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 4.02D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.53D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.121253D+03 -0.861664D-01  0.384705D+00
      2  -0.861664D-01  0.118442D+03  0.462431D+01
      3   0.384705D+00  0.462431D+01  0.106202D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.223237D+00  0.284077D+01  0.443255D+01
      2   0.374626D+01  0.153182D+02 -0.330303D+01
      3   0.727752D+01 -0.222878D+02 -0.142257D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.112126D+02 -0.362464D+02  0.197939D+01
      2   0.549528D+01  0.184014D+02  0.756512D+01
      3  -0.167079D+02  0.178451D+02 -0.954451D+01
      4  -0.364134D+02  0.335215D+02  0.264235D+02
      5   0.140403D+02  0.237863D+02 -0.193620D+02
      6   0.979453D+01  0.184126D+02  0.105252D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.333113D+01  0.956800D-01 -0.164331D+01  0.174130D+01 -0.522728D+00
      2   0.956800D-01 -0.875750D+00 -0.255209D+01 -0.522728D+00  0.153261D+02
      3  -0.164331D+01 -0.255209D+01 -0.205069D+01 -0.198925D+01  0.296699D+01
                 6             7             8             9            10 
      1  -0.198925D+01 -0.133687D+01 -0.293656D+01 -0.177212D+01  0.107455D+01
      2   0.296699D+01 -0.293656D+01  0.208265D+01  0.358686D+01  0.895082D+00
      3   0.289355D+01 -0.177212D+01  0.358686D+01  0.527995D+01  0.633105D+00
                11            12            13            14            15 
      1   0.895082D+00  0.633105D+00  0.158000D+01  0.168401D-02  0.203008D+01
      2   0.737683D+00  0.336049D+01  0.168401D-02 -0.111242D+02  0.695207D+00
      3   0.336049D+01  0.285622D+01  0.203008D+01  0.695207D+00 -0.151191D+01
                16            17            18            19            20 
      1   0.974622D+00  0.296919D+01  0.284976D+01  0.230702D+01 -0.259694D+01
      2   0.296919D+01  0.236159D+01 -0.374939D+01 -0.259694D+01  0.128478D+01
      3   0.284976D+01 -0.374939D+01 -0.573512D+01 -0.388693D+00  0.113448D+01
                21            22            23            24            25 
      1  -0.388693D+00 -0.237894D+01  0.112059D+01  0.128170D+01 -0.923637D+00
      2   0.113448D+01  0.112059D+01 -0.153330D+02 -0.408164D+01  0.586368D+00
      3   0.736278D+00  0.128170D+01 -0.408164D+01 -0.382105D+01  0.144203D+01
                26            27            28            29            30 
      1   0.586368D+00  0.144203D+01 -0.439442D+01 -0.697325D+00 -0.116424D+01
      2  -0.417960D+01 -0.376184D+01 -0.697325D+00 -0.462933D+00 -0.271157D+01
      3  -0.376184D+01 -0.431680D+01 -0.116424D+01 -0.271157D+01 -0.258794D+01
                31            32            33            34            35 
      1  -0.228207D+01 -0.205544D+01 -0.253258D+01 -0.127717D+01 -0.264784D+01
      2  -0.205544D+01  0.939474D+01 -0.357597D+00 -0.264784D+01 -0.846720D+00
      3  -0.253258D+01 -0.357597D+00  0.180635D+01 -0.412100D+01  0.374354D+01
                36            37            38            39            40 
      1  -0.412100D+01  0.437110D+01  0.179120D+01 -0.259485D+01 -0.188167D+01
      2   0.374354D+01  0.179120D+01  0.898223D+00 -0.916222D+00  0.239106D+00
      3   0.465419D+01 -0.259485D+01 -0.916222D+00  0.313797D+01 -0.193138D+01
                41            42            43            44            45 
      1   0.239106D+00 -0.193138D+01 -0.550285D+01 -0.128480D+01  0.262966D+01
      2   0.393589D+01  0.378234D+01 -0.128480D+01  0.337903D+01  0.257602D+00
      3   0.378234D+01 -0.140936D+01  0.262966D+01  0.257602D+00  0.556658D+00
                46            47            48            49            50 
      1  -0.348469D+01  0.123158D+01  0.483963D+01  0.349110D+01 -0.154990D+01
      2   0.123158D+01 -0.116158D+01  0.708620D+00 -0.154990D+01 -0.743550D+01
      3   0.483963D+01  0.708620D+00 -0.172040D+01  0.891332D+00  0.178016D+01
                51            52            53            54            55 
      1   0.891332D+00  0.717394D+01  0.127683D+01 -0.156701D+01  0.233589D+01
      2   0.178016D+01  0.127683D+01  0.216914D+01  0.126812D+01 -0.373748D+01
      3   0.106136D+01 -0.156701D+01  0.126812D+01 -0.234726D+01 -0.148814D+01
                56            57            58            59            60 
      1  -0.373748D+01 -0.148814D+01 -0.379006D+01  0.443638D+01 -0.164661D+01
      2   0.425829D+01 -0.155898D+01  0.443638D+01  0.330510D+01 -0.246392D+01
      3  -0.155898D+01 -0.156376D+01 -0.164661D+01 -0.246392D+01  0.250759D+01
                61            62            63            64            65 
      1  -0.155805D+01 -0.179870D+01 -0.179026D+01  0.190945D+00 -0.755890D+00
      2  -0.179870D+01 -0.293212D+01  0.172884D+01 -0.755890D+00 -0.229447D+01
      3  -0.179026D+01  0.172884D+01  0.339537D+01  0.323238D+01  0.371402D+01
                66            67            68            69            70 
      1   0.323238D+01  0.448228D+00 -0.184928D+01  0.441798D+01  0.305831D+01
      2   0.371402D+01 -0.184928D+01  0.112041D+01 -0.124964D+01  0.284253D+01
      3   0.957683D+00  0.441798D+01 -0.124964D+01 -0.640397D+00  0.120208D+01
                71            72            73            74            75 
      1   0.284253D+01  0.120208D+01  0.779439D+01  0.260529D+01  0.322508D+01
      2  -0.632131D+00 -0.123171D+01  0.260529D+01  0.125381D+01  0.123644D+01
      3  -0.123171D+01 -0.754031D+00  0.322508D+01  0.123644D+01  0.227537D+01
                76            77            78            79            80 
      1   0.192261D+01  0.145580D+01  0.927949D+00  0.332091D+01  0.159051D+01
      2   0.145580D+01  0.211454D+01  0.148484D+01  0.159051D+01  0.188284D+01
      3   0.927949D+00  0.148484D+01  0.127542D+01  0.226720D+01  0.854065D+00
                81            82            83            84            85 
      1   0.226720D+01  0.907540D+00  0.152271D+01 -0.426314D+00  0.137340D+01
      2   0.854065D+00  0.152271D+01  0.212803D+01 -0.334139D+00  0.123606D+01
      3   0.147780D+01 -0.426314D+00 -0.334139D+00 -0.134928D+00 -0.315724D+00
                86            87            88            89            90 
      1   0.123606D+01 -0.315724D+00 -0.800498D+00 -0.692839D+00 -0.957296D-01
      2   0.133501D+02 -0.984465D+00 -0.692839D+00 -0.355227D+01  0.222330D+01
      3  -0.984465D+00  0.106789D+01 -0.957296D-01  0.222330D+01 -0.157789D+00
                91            92            93            94            95 
      1  -0.124638D+01  0.691959D+00  0.142650D+01  0.129034D+00 -0.659418D+00
      2   0.691959D+00 -0.786960D+00 -0.116559D+01 -0.659418D+00  0.358725D+01
      3   0.142650D+01 -0.116559D+01 -0.179284D+01 -0.513407D+00  0.214648D+01
                96            97            98            99           100 
      1  -0.513407D+00  0.155763D+01 -0.130679D+01 -0.166819D+01  0.873106D+01
      2   0.214648D+01 -0.130679D+01  0.339845D+01  0.420755D+01  0.592211D-01
      3   0.174556D+01 -0.166819D+01  0.420755D+01  0.831902D+01  0.213485D+01
               101           102           103           104           105 
      1   0.592211D-01  0.213485D+01  0.275236D+01  0.675470D+00  0.608765D+00
      2   0.714942D+00  0.103821D+00  0.675470D+00  0.385443D+00  0.531688D+00
      3   0.103821D+00  0.158833D+01  0.608765D+00  0.531688D+00  0.440664D+00
               106           107           108           109           110 
      1   0.352195D+01 -0.985166D-01  0.221891D+01  0.232548D+01 -0.893121D+00
      2  -0.985166D-01  0.781509D+00 -0.217367D+00 -0.893121D+00  0.371245D+00
      3   0.221891D+01 -0.217367D+00  0.115611D+01 -0.172037D+01  0.997169D+00
               111           112           113           114           115 
      1  -0.172037D+01 -0.675694D+00  0.161119D+01  0.107011D+01 -0.344629D+01
      2   0.997169D+00  0.161119D+01 -0.314316D+01 -0.162806D+01  0.265858D+01
      3   0.174801D+01  0.107011D+01 -0.162806D+01 -0.162292D+01  0.340805D+01
               116           117           118           119           120 
      1   0.265858D+01  0.340805D+01 -0.488265D+00 -0.519236D+00  0.552571D+00
      2  -0.303325D+01 -0.336520D+01 -0.519236D+00 -0.185639D+01  0.416441D+00
      3  -0.336520D+01 -0.728189D+01  0.552571D+00  0.416441D+00 -0.151892D+00
               121           122           123           124           125 
      1  -0.175784D+01  0.163519D+01  0.322396D+00  0.963046D+00 -0.132473D+00
      2   0.163519D+01 -0.101097D+02  0.175265D+01 -0.132473D+00  0.304480D+01
      3   0.322396D+00  0.175265D+01 -0.148632D+01  0.633001D+00 -0.235978D+01
               126           127           128           129           130 
      1   0.633001D+00  0.470921D+00 -0.123684D+01 -0.187582D+00 -0.164094D+01
      2  -0.235978D+01 -0.123684D+01 -0.196964D+00  0.146268D+00  0.749343D+00
      3   0.725488D+00 -0.187582D+00  0.146268D+00 -0.142310D+00  0.393293D+00
               131           132           133           134           135 
      1   0.749343D+00  0.393293D+00 -0.819329D-01  0.493497D+00  0.104469D+00
      2  -0.766480D+01 -0.320355D+01  0.493497D+00 -0.271688D+01 -0.220276D+01
      3  -0.320355D+01 -0.212080D+01  0.104469D+00 -0.220276D+01 -0.237805D+01
               136           137           138           139           140 
      1  -0.566780D+00 -0.242514D+01 -0.432861D+01 -0.320833D+01  0.913211D+00
      2  -0.242514D+01  0.544710D+00  0.244624D+00  0.913211D+00  0.644604D+01
      3  -0.432861D+01  0.244624D+00  0.134845D+01  0.389742D+00 -0.244452D+01
               141           142           143           144           145 
      1   0.389742D+00 -0.467952D+01  0.387829D-01  0.142129D+01  0.122440D+01
      2  -0.244452D+01  0.387829D-01 -0.143951D+01 -0.183070D+01 -0.285921D+01
      3  -0.193508D+01  0.142129D+01 -0.183070D+01  0.197443D+01 -0.386771D+01
               146           147           148           149           150 
      1  -0.285921D+01 -0.386771D+01 -0.418741D+01  0.139192D+01 -0.197422D+00
      2   0.119881D+00 -0.291649D+00  0.139192D+01  0.700302D+01 -0.104915D+01
      3  -0.291649D+00  0.151123D+01 -0.197422D+00 -0.104915D+01 -0.180748D+01
               151           152           153           154           155 
      1  -0.465916D+01 -0.200480D+00  0.210272D+01 -0.674765D+01  0.425254D+01
      2  -0.200480D+00 -0.121941D+01 -0.157223D+01  0.425254D+01 -0.392186D+01
      3   0.210272D+01 -0.157223D+01  0.449232D+01  0.549320D-01  0.301192D+00
               156           157           158           159           160 
      1   0.549320D-01  0.330938D+01 -0.354599D+01  0.372733D+00  0.216770D+00
      2   0.301192D+00 -0.354599D+01  0.447383D+01  0.782977D-01  0.295002D+00
      3  -0.679500D+00  0.372733D+00  0.782977D-01  0.474243D+00 -0.994802D+00
               161           162           163           164           165 
      1   0.295002D+00 -0.994802D+00 -0.398445D+01 -0.319892D+00 -0.315991D+01
      2   0.237377D+00  0.981288D+00 -0.319892D+00 -0.607256D+00 -0.245346D+00
      3   0.981288D+00 -0.280239D+00 -0.315991D+01 -0.245346D+00 -0.386975D+01
               166           167           168           169           170 
      1  -0.718005D+00 -0.710469D+00 -0.647081D+00 -0.255751D+01 -0.284516D+00
      2  -0.710469D+00 -0.521448D+00 -0.791726D+00 -0.284516D+00 -0.551980D+00
      3  -0.647081D+00 -0.791726D+00 -0.636000D+00 -0.329563D+01 -0.109137D+00
               171           172           173           174           175 
      1  -0.329563D+01  0.324480D+01  0.153527D+01 -0.264486D+01  0.119231D+01
      2  -0.109137D+00  0.153527D+01  0.184165D+01 -0.193777D+01  0.145701D+01
      3  -0.631465D+01 -0.264486D+01 -0.193777D+01  0.317868D+01 -0.153808D+01
               176           177           178           179           180 
      1   0.145701D+01 -0.153808D+01 -0.142446D+01 -0.983109D+00  0.163919D+01
      2   0.242523D+01 -0.194538D+01 -0.983109D+00 -0.113618D+01  0.180714D+01
      3  -0.194538D+01  0.242245D+01  0.163919D+01  0.180714D+01 -0.416601D+01
               181           182           183           184           185 
      1   0.467342D+01  0.100141D+01  0.156685D+01  0.155626D+01  0.706745D+00
      2   0.100141D+01  0.911078D+00 -0.211458D+00  0.706745D+00  0.104010D-01
      3   0.156685D+01 -0.211458D+00  0.276735D+01 -0.466245D-01  0.541388D+00
               186           187           188           189           190 
      1  -0.466245D-01  0.174501D+01  0.104181D+00  0.164421D+01 -0.395473D+00
      2   0.541388D+00  0.104181D+00  0.524534D+00  0.561297D+00 -0.897177D+00
      3   0.126015D+01  0.164421D+01  0.561297D+00  0.217960D+01  0.944679D+00
               191           192           193           194           195 
      1  -0.897177D+00  0.944679D+00 -0.107152D+01 -0.104149D+01  0.364790D+00
      2  -0.356607D+00  0.105351D+00 -0.104149D+01 -0.842909D+01  0.320364D+01
      3   0.105351D+00 -0.476067D+00  0.364790D+00  0.320364D+01 -0.257022D+01
               196           197           198           199           200 
      1   0.427164D+00  0.104057D+00 -0.373979D+00 -0.476305D+01  0.902145D+00
      2   0.104057D+00  0.114406D+01 -0.133860D+01  0.902145D+00 -0.112148D+01
      3  -0.373979D+00 -0.133860D+01  0.972710D+00  0.358283D+01 -0.349826D+00
               201           202           203           204           205 
      1   0.358283D+01  0.192514D+01 -0.111170D+01 -0.118660D+01  0.250407D+01
      2  -0.349826D+00 -0.111170D+01  0.295705D+00  0.121634D+01 -0.408995D+00
      3  -0.386429D+01 -0.118660D+01  0.121634D+01  0.197776D+01 -0.278086D+01
               206           207           208           209           210 
      1  -0.408995D+00 -0.278086D+01 -0.111431D+01  0.544858D+00 -0.128246D+01
      2   0.738709D+00  0.754403D+00  0.544858D+00 -0.390176D-01 -0.416617D-02
      3   0.754403D+00  0.401544D+01 -0.128246D+01 -0.416617D-02 -0.153743D+01
               211           212           213           214           215 
      1   0.114231D+01 -0.314522D+00  0.122837D+00 -0.231171D+01 -0.461736D+00
      2  -0.314522D+00 -0.269736D+00 -0.836572D+00 -0.461736D+00 -0.107599D+01
      3   0.122837D+00 -0.836572D+00  0.739923D+00 -0.240592D+01  0.291481D+00
               216           217           218           219           220 
      1  -0.240592D+01 -0.832988D+01  0.791635D+00  0.226849D+01  0.325512D+01
      2   0.291481D+00  0.791635D+00 -0.955819D+00 -0.238054D+00 -0.133193D+01
      3  -0.677505D+01  0.226849D+01 -0.238054D+00 -0.148161D+01 -0.552931D+00
               221           222           223           224           225 
      1  -0.133193D+01 -0.552931D+00  0.420531D+01  0.286346D-02 -0.210101D+01
      2   0.187398D+00  0.599250D+00  0.286346D-02  0.886105D+00  0.439767D+00
      3   0.599250D+00  0.873599D+00 -0.210101D+01  0.439767D+00  0.142509D+01
               226           227           228           229           230 
      1  -0.805036D+00 -0.982307D+00  0.435165D+00 -0.222607D+01 -0.293681D+01
      2  -0.982307D+00 -0.427235D+00  0.479395D-01 -0.293681D+01 -0.933068D+01
      3   0.435165D+00  0.479395D-01 -0.521697D-01 -0.960146D-01  0.256932D+00
               231           232           233           234 
      1  -0.960146D-01  0.890947D+00  0.274980D+00 -0.596046D+00
      2   0.256932D+00  0.274980D+00  0.685230D+00 -0.966549D+00
      3  -0.984972D+00 -0.596046D+00 -0.966549D+00 -0.117260D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.136396D+01  0.165709D+01  0.424746D+00  0.274596D+01  0.850273D+01
      2   0.208271D+01 -0.164169D+01 -0.222820D+01 -0.101601D+00  0.872092D+01
      3  -0.247070D+01 -0.511919D+01  0.107255D+01  0.162803D+01 -0.412101D+02
                 6             7             8             9            10 
      1  -0.220844D+01  0.992367D+00  0.483600D+01  0.127308D+00 -0.128732D+01
      2   0.103516D+02 -0.898302D+01  0.135972D+02  0.145222D+02 -0.845430D+00
      3  -0.114556D+02  0.148100D+01 -0.938609D+01 -0.132987D+02  0.369540D+01
                11            12            13            14            15 
      1  -0.740456D+01 -0.408969D+01 -0.452937D+01 -0.160752D+02  0.813424D+00
      2   0.251451D+01  0.308537D+01  0.651679D-01 -0.376736D+01 -0.242076D+01
      3  -0.478566D+01 -0.255646D+01  0.524480D+01  0.798537D+01  0.583208D+01
                16            17            18            19            20 
      1  -0.539546D+01  0.172162D+02  0.137722D+02 -0.131120D+01 -0.164722D+01
      2  -0.118207D+01 -0.271756D+01 -0.530108D+01 -0.570754D+00  0.539332D+01
      3  -0.665610D+00  0.885580D+01  0.108415D+02  0.941325D+01 -0.675155D+01
                21            22            23            24            25 
      1  -0.216448D-01 -0.235911D+01 -0.109619D+02 -0.197225D+01 -0.247202D+01
      2   0.206480D+01  0.429075D+01 -0.104061D+02 -0.111678D+02 -0.503795D+01
      3  -0.454247D+01  0.352501D+01  0.405162D+02  0.128229D+02 -0.308228D+01
                26            27            28            29            30 
      1   0.471683D+01  0.262036D+01 -0.162027D+01 -0.547091D+01 -0.441557D+01
      2  -0.999542D+01 -0.158835D+02 -0.520165D+01 -0.899646D+01 -0.572119D+01
      3   0.127777D+02  0.105901D+02  0.109188D+02 -0.209834D+01  0.102438D+02
                31            32            33            34            35 
      1  -0.315047D+01 -0.573708D+01  0.169712D+01 -0.926323D+01  0.130309D+02
      2  -0.809913D+01 -0.268179D+01  0.414549D+01 -0.159348D+02  0.132744D+02
      3   0.123993D+02 -0.283385D+02  0.547167D+01  0.101603D+02  0.994508D+01
                36            37            38            39            40 
      1   0.907548D+01 -0.886212D+00  0.189899D+00  0.468930D+01 -0.413597D+01
      2   0.145096D+02  0.784912D+01  0.337628D+01  0.348450D+01 -0.290231D+01
      3  -0.426826D+01 -0.134535D+02 -0.864609D+01 -0.715043D+00  0.820039D+01
                41            42            43            44            45 
      1   0.117572D+01 -0.114407D+02  0.748421D+01  0.851678D+00  0.425018D+01
      2   0.297299D+01 -0.466521D+01 -0.948887D+01 -0.407259D+01  0.439743D+01
      3   0.133045D+01  0.247450D+01  0.517922D+01 -0.192849D+00 -0.664959D+01
                46            47            48            49            50 
      1   0.443448D+01 -0.288149D+00 -0.218554D+01 -0.116495D+01 -0.188114D+01
      2  -0.124966D+02 -0.301940D+01  0.679629D+01  0.801287D+00 -0.171670D+01
      3   0.113807D+02 -0.502259D+01 -0.188665D+01 -0.250542D+01 -0.150964D+02
                51            52            53            54            55 
      1  -0.225461D+01 -0.251143D+01  0.728679D+01 -0.265166D+01  0.267374D+01
      2  -0.113693D+01 -0.109899D+01 -0.297820D+01  0.625084D+01  0.264038D+01
      3   0.284634D+01 -0.720926D+01  0.193062D+01  0.502947D+01 -0.337123D+01
                56            57            58            59            60 
      1   0.240998D+01  0.643382D+01  0.324281D+01  0.405395D+01 -0.695081D+01
      2   0.209314D+01  0.471819D+01  0.158447D+01  0.249460D+01 -0.336199D+01
      3  -0.651017D+01 -0.378182D+01  0.330318D+01  0.124274D+02 -0.534893D+01
                61            62            63            64            65 
      1   0.427989D+01  0.447721D+00 -0.884821D+01 -0.220338D+01  0.291013D+01
      2  -0.244921D+01 -0.252288D+01 -0.520317D+01 -0.139316D+01 -0.424291D+01
      3  -0.511794D+01 -0.641770D+01 -0.122910D+01  0.213960D+01 -0.463103D+01
                66            67            68            69            70 
      1  -0.124546D+02  0.587222D+01 -0.189684D+01  0.657565D+01 -0.102510D+02
      2   0.100480D+02 -0.101667D+01 -0.421119D+01  0.137811D+02  0.265453D+01
      3   0.620659D+01 -0.110656D+01 -0.185359D+01 -0.115353D+01  0.462940D+01
                71            72            73            74            75 
      1   0.783833D+01  0.267629D+01 -0.184192D+01  0.278342D+00 -0.286330D+01
      2   0.858337D+01  0.425739D+01 -0.598203D+00  0.966879D+00  0.552045D+01
      3   0.839907D+00  0.116969D+01  0.522915D+01 -0.164555D+01  0.158653D+01
                76            77            78            79            80 
      1  -0.121095D+00 -0.641822D+00 -0.101585D+01 -0.208571D+01  0.251306D+01
      2  -0.990855D-01  0.279826D+01  0.272665D+01  0.711726D+00 -0.148831D+01
      3   0.952823D+00 -0.224388D+01 -0.155278D+01  0.125161D+01 -0.372943D+01
                81            82            83            84            85 
      1  -0.133071D+01  0.193208D+01  0.274895D+01  0.774418D-01  0.781991D+00
      2   0.125547D+01 -0.792079D+00 -0.513529D+00  0.141631D+01 -0.103273D+01
      3   0.141169D+01  0.217943D+01  0.147024D+01 -0.806064D+00  0.646331D+01
                86            87            88            89            90 
      1   0.124954D+02 -0.605285D+01  0.451907D+00 -0.742525D+01  0.273025D+01
      2   0.804091D+00  0.788499D+00 -0.544398D+00  0.916029D+00  0.255057D+00
      3  -0.480350D+01 -0.461829D+00 -0.269190D+01 -0.164195D+00 -0.183925D+01
                91            92            93            94            95 
      1  -0.319407D+01  0.166243D+01  0.386986D+01  0.378512D+00 -0.105736D+01
      2   0.223205D+01 -0.116266D+01 -0.109021D+01 -0.714646D+00  0.228451D+01
      3  -0.436694D+01  0.475497D+00  0.417447D+01  0.187793D+01 -0.388035D+01
                96            97            98            99           100 
      1  -0.266028D+01  0.329775D+01 -0.424671D+01 -0.176492D+02  0.371286D+01
      2   0.911360D+00 -0.529692D+01  0.278216D+01  0.446752D+01  0.756180D+01
      3  -0.266145D+01  0.705652D+01 -0.573705D+01 -0.691412D+01 -0.130204D+02
               101           102           103           104           105 
      1   0.880559D+00  0.248141D+01  0.735176D+00  0.134788D+01 -0.199781D+00
      2   0.323098D+00  0.755330D+01  0.182869D+01  0.169049D+01  0.200309D+01
      3  -0.496663D+01 -0.388818D+01 -0.370457D+01 -0.313284D+01 -0.257555D+01
               106           107           108           109           110 
      1   0.301733D+01  0.635104D+00  0.141156D+01 -0.261228D+01  0.153694D+01
      2   0.524838D+01  0.212466D-01  0.462000D+01 -0.355690D+01  0.254544D+01
      3  -0.497583D+01 -0.349001D+01 -0.236331D+01 -0.659167D+00 -0.178240D+01
               111           112           113           114           115 
      1   0.305434D+01  0.172685D+01 -0.100877D+01 -0.329494D+01  0.534004D+01
      2   0.531893D+01  0.270648D+01 -0.419705D+01 -0.460743D+01  0.616299D+01
      3  -0.111207D+01 -0.232118D+01  0.742395D+01  0.311063D+01 -0.177679D+01
               116           117           118           119           120 
      1  -0.352342D+01 -0.120163D+02  0.680442D+00  0.184802D+01 -0.427218D+00
      2  -0.850063D+01 -0.209016D+02  0.149823D+01  0.212764D+01  0.365739D+00
      3   0.528722D+01  0.494045D+01  0.297584D+01  0.554434D+01 -0.246954D+01
               121           122           123           124           125 
      1  -0.335496D+00  0.542117D+01 -0.528643D+01  0.118451D+01 -0.426472D+01
      2   0.140425D+01  0.490277D+01 -0.434178D+01  0.352792D+00 -0.600648D+01
      3   0.598601D+00  0.281989D+02 -0.604657D+01 -0.208515D+01 -0.956478D+01
               126           127           128           129           130 
      1   0.210161D+01  0.136169D+01 -0.351000D+00 -0.155986D+00 -0.616315D+00
      2   0.232839D+01  0.961355D+00 -0.139223D+01  0.753695D+00 -0.278296D+01
      3   0.594534D+01 -0.586142D+00  0.522158D+00  0.116871D+00  0.551704D+01
               131           132           133           134           135 
      1   0.593596D+01 -0.204650D+01 -0.197730D+00  0.263085D+01 -0.916168D+00
      2   0.722574D+00  0.140638D+00 -0.220943D+01 -0.125022D-03 -0.567695D+00
      3   0.573132D+00  0.100431D-01  0.787618D+00  0.361702D+00  0.235247D+00
               136           137           138           139           140 
      1  -0.112393D+02  0.762373D+00  0.199728D+01  0.313200D+01  0.134224D+02
      2   0.101765D+02  0.474235D+01  0.118283D+02  0.646018D+01  0.984314D+00
      3  -0.353389D+01  0.219259D+00  0.503287D+01  0.664003D+01  0.842891D+01
               141           142           143           144           145 
      1  -0.118947D+02  0.935577D+00 -0.353015D+01 -0.287218D+01 -0.281988D+01
      2   0.157721D+01  0.647186D+01  0.308397D+01 -0.453038D+01  0.120721D+02
      3  -0.390068D+01  0.424085D+01 -0.230121D+01 -0.367552D+01 -0.131608D+02
               146           147           148           149           150 
      1  -0.832433D-01  0.262697D+01 -0.936478D+00 -0.385484D+01 -0.395990D+01
      2  -0.911607D+00 -0.522115D+01 -0.233036D+01  0.300927D+01  0.526324D+01
      3   0.272810D+01  0.388841D+01  0.126232D+02  0.214993D+02 -0.252255D+01
               151           152           153           154           155 
      1   0.436874D+01  0.818985D+00  0.765755D+01 -0.122445D+01  0.542126D+00
      2  -0.144051D+02  0.369059D+01 -0.158846D+02 -0.129480D+01  0.763823D+00
      3   0.480694D+01 -0.282075D+01 -0.772664D+01 -0.768536D+01 -0.103581D+01
               156           157           158           159           160 
      1   0.255602D+01  0.470985D+00 -0.160349D+01 -0.304902D+01  0.169006D+01
      2   0.335890D+01  0.418973D+00 -0.105844D+01 -0.203974D+01  0.254926D+00
      3   0.278654D+00  0.368620D+01  0.778436D+00  0.623042D+00  0.498802D+00
               161           162           163           164           165 
      1  -0.602056D+00  0.377593D+00  0.351628D+01  0.380053D+01  0.401669D+01
      2  -0.111247D+01  0.131325D+00 -0.100151D+02 -0.151071D+01 -0.368788D+01
      3   0.120655D+01 -0.443692D+00 -0.327669D+01 -0.268767D+01 -0.229977D+01
               166           167           168           169           170 
      1   0.214016D+01  0.217207D+01  0.620735D+00  0.360863D+01  0.316696D+01
      2  -0.219438D+01 -0.107868D+01 -0.148792D+01 -0.668104D+01 -0.127044D+01
      3   0.423622D+00 -0.298726D+00 -0.609641D+00 -0.158226D+01 -0.167007D+01
               171           172           173           174           175 
      1   0.397480D+01 -0.154948D+01 -0.430207D+01  0.687381D+00 -0.267662D+01
      2  -0.293925D+01  0.962225D+01  0.374491D+01 -0.451773D+01  0.403059D+01
      3  -0.180858D+01  0.454764D+01  0.655690D+00 -0.268949D+01  0.374477D+01
               176           177           178           179           180 
      1  -0.399411D+01  0.202765D+00  0.869804D+00  0.265618D+01 -0.460331D+00
      2   0.362769D+01 -0.397216D+01 -0.519840D+01 -0.313969D+01  0.415604D+01
      3   0.103446D+01 -0.189863D+01 -0.251614D+01 -0.421972D+00  0.233286D+01
               181           182           183           184           185 
      1   0.596076D+01  0.358075D+01  0.118764D+01  0.332259D+01  0.181513D+01
      2  -0.175849D+02 -0.387289D+01 -0.386889D+01 -0.548780D+01 -0.259830D+01
      3  -0.266113D+01 -0.145348D+01 -0.134032D+01  0.110379D+01 -0.219008D+00
               186           187           188           189           190 
      1   0.861969D+00  0.226438D+01  0.268339D+01  0.261616D+01 -0.634512D+00
      2  -0.652221D+00 -0.733715D+01 -0.117497D+01 -0.498626D+01 -0.728270D+00
      3   0.198258D+00 -0.850017D+00 -0.589688D+00 -0.463529D+00 -0.826552D+00
               191           192           193           194           195 
      1  -0.816536D+00 -0.523111D+00 -0.181069D+01 -0.161447D+02  0.105524D+01
      2   0.137366D+01 -0.416201D+00  0.265392D+01 -0.207279D+01  0.272383D+01
      3  -0.449353D+00 -0.600772D+00  0.287008D+01 -0.964089D+01  0.368065D+01
               196           197           198           199           200 
      1  -0.437658D-01  0.296867D+01 -0.197609D+01  0.560320D+01 -0.439376D+01
      2  -0.150786D+01  0.985559D+00 -0.434807D+00  0.630558D+01 -0.199581D+01
      3  -0.460159D+00  0.139271D+01 -0.120657D+01  0.449880D+01 -0.421094D+01
               201           202           203           204           205 
      1  -0.407255D+01 -0.309813D+01  0.246173D+01  0.305455D+01 -0.348868D+01
      2  -0.269015D+00 -0.317602D+01  0.290332D+00 -0.111313D+01 -0.448169D+01
      3  -0.346069D+01 -0.163971D+01  0.198310D+01  0.237124D+01 -0.245590D+01
               206           207           208           209           210 
      1   0.376051D+01  0.509020D+01 -0.204494D+01  0.191002D+00 -0.139301D+01
      2  -0.382992D-01  0.141849D+00  0.307749D+01  0.747605D+00  0.419930D+01
      3   0.212360D+01  0.339707D+01  0.246392D+01 -0.123936D+01  0.126707D+01
               211           212           213           214           215 
      1  -0.465834D-01 -0.100591D+01  0.971063D+00 -0.156441D+01  0.391435D+01
      2   0.132944D+01  0.254930D+01 -0.313106D+01  0.200423D+01 -0.250543D+01
      3  -0.757857D+00  0.660073D-01 -0.247936D+01  0.842074D+00 -0.372934D+01
               216           217           218           219           220 
      1  -0.861539D+01  0.230916D+01 -0.600419D+00 -0.139289D+01 -0.312327D+00
      2   0.206838D+02 -0.942272D+01  0.131657D+01  0.831953D+01  0.257321D+01
      3   0.403723D+01  0.120137D+02 -0.624018D+01 -0.350862D+01 -0.570952D+01
               221           222           223           224           225 
      1   0.893779D+00 -0.290584D+00 -0.204263D+01  0.120262D+01  0.821013D+00
      2  -0.233514D+01 -0.371333D+01  0.630391D+01 -0.148931D+01 -0.579559D+01
      3   0.284983D+01  0.240661D+01 -0.450422D+01  0.392034D+01  0.385467D+01
               226           227           228           229           230 
      1   0.920540D+00  0.358742D+00 -0.107738D+00  0.549779D+00  0.385680D+01
      2  -0.138443D+01 -0.460937D+00  0.130069D+01 -0.209710D+00 -0.172860D+01
      3  -0.234478D+01 -0.157166D+01 -0.524230D+00 -0.241325D+01 -0.244153D+02
               231           232           233           234 
      1  -0.438664D+01 -0.508055D+00 -0.350513D+00  0.348129D+00
      2   0.339880D+01  0.102747D+01  0.211597D+01  0.255359D+00
      3   0.101460D+01 -0.960899D+00  0.157388D+01 -0.189848D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.141262D+02  0.315721D+01 -0.226156D+01  0.515769D+01 -0.257459D+02
      2   0.911921D+01 -0.765801D+00  0.229148D+01  0.166346D+01  0.311813D+02
      3   0.500701D+01 -0.239141D+01 -0.299182D-01 -0.682115D+01 -0.543546D+01
      4  -0.668569D+01 -0.178574D+00 -0.117121D+02 -0.321089D+01  0.497153D+02
      5  -0.161137D+02 -0.782839D+01 -0.555501D+01 -0.112147D+02  0.484220D+01
      6  -0.582117D+01 -0.765138D+01 -0.551253D+01 -0.474414D+01  0.663459D+01
                 6             7             8             9            10 
      1  -0.121837D+02 -0.432073D+01 -0.137599D+02 -0.178269D+02  0.106933D+01
      2   0.916512D+01  0.237243D+01  0.205195D+01  0.230703D+01  0.329144D+01
      3   0.301860D+01  0.194831D+01  0.117080D+02  0.155199D+02 -0.436077D+01
      4   0.437376D+01 -0.186816D+02  0.216248D+01  0.106966D+02 -0.135928D+01
      5   0.566877D+01 -0.467831D+01  0.716822D+01  0.880585D+01  0.200731D+01
      6   0.733421D+01 -0.363306D+01  0.110588D+02  0.549683D+01  0.274233D+01
                11            12            13            14            15 
      1  -0.358358D+01 -0.103527D+02  0.193684D+01  0.381329D+02  0.217812D+01
      2  -0.515611D+01  0.998207D+01 -0.678735D+01 -0.579079D+02  0.725378D+01
      3   0.873968D+01  0.370584D+00  0.485051D+01  0.197750D+02 -0.943189D+01
      4   0.496983D+01  0.498458D+01  0.720799D+01 -0.187092D+02  0.470105D+01
      5   0.207705D+01 -0.622779D+00  0.279008D+01  0.264048D+00  0.230051D+01
      6   0.149812D+02  0.129257D+02  0.700890D+01  0.487249D+01 -0.648473D+01
                16            17            18            19            20 
      1  -0.969442D+01 -0.789480D+00  0.204954D+02  0.141976D+02 -0.612574D+00
      2   0.667980D+01  0.215891D+02 -0.682308D+01 -0.114684D+02 -0.226702D+01
      3   0.301463D+01 -0.207997D+02 -0.136723D+02 -0.272920D+01  0.287959D+01
      4   0.450392D+01  0.915260D+01  0.382856D+01 -0.476315D+01  0.582963D+01
      5   0.445183D+00  0.463069D+01  0.573330D+01  0.470060D+00  0.715447D+01
      6   0.120026D+02 -0.185873D+02 -0.256647D+02 -0.295106D+01 -0.548782D+01
                21            22            23            24            25 
      1   0.371888D+01  0.991413D+00  0.108776D+02  0.108486D+02 -0.213956D+01
      2  -0.267120D+01 -0.196882D+01 -0.804006D+01 -0.188651D+01 -0.369949D+00
      3  -0.104768D+01  0.977411D+00 -0.283755D+01 -0.896212D+01  0.250951D+01
      4   0.475237D+01  0.982886D-01 -0.513282D+02 -0.146165D+02 -0.113966D+01
      5   0.541289D+01  0.404168D+01 -0.102579D+02 -0.102404D+02  0.118085D+02
      6  -0.243656D+00 -0.142681D+01 -0.815675D+01 -0.108334D+01 -0.359191D+00
                26            27            28            29            30 
      1   0.101165D+02  0.107615D+02 -0.327518D+02 -0.224083D+01 -0.155419D+02
      2  -0.962536D+01 -0.121030D+02  0.250436D+02 -0.570526D+01  0.989249D+01
      3  -0.491121D+00  0.134156D+01  0.770818D+01  0.794610D+01  0.564941D+01
      4  -0.158912D+02 -0.125030D+02 -0.358125D+01  0.259795D+01 -0.101379D+02
      5  -0.998316D+01 -0.141598D+02 -0.110558D+02 -0.139656D+02 -0.160675D+02
      6   0.354944D+01 -0.554307D+01  0.235843D+01  0.793487D+01  0.650688D+01
                31            32            33            34            35 
      1  -0.156991D+02  0.130570D+02 -0.168700D+02 -0.175135D+02 -0.201714D+02
      2   0.657704D+01 -0.245969D+02  0.160483D+02  0.745834D+01  0.233855D+02
      3   0.912203D+01  0.115399D+02  0.821648D+00  0.100552D+02 -0.321415D+01
      4  -0.231159D+01  0.363158D+02  0.195139D+01 -0.116396D+02  0.590653D+00
      5  -0.134527D+02 -0.427288D+01  0.104605D+02 -0.258067D+02  0.235996D+02
      6   0.331227D+01  0.116986D+02 -0.790479D+01  0.117332D+02 -0.162367D+02
                36            37            38            39            40 
      1  -0.131356D+02 -0.111719D+02 -0.388770D+01  0.135854D+01 -0.110866D+02
      2   0.100206D+02  0.764635D+01  0.318431D+01 -0.222687D+01  0.704505D+00
      3   0.311495D+01  0.352553D+01  0.703393D+00  0.868337D+00  0.103820D+02
      4   0.207682D+02  0.506845D+01  0.257002D+01  0.515438D+01  0.123117D+01
      5   0.299225D+02  0.412732D+01  0.234608D+00  0.271891D+00 -0.581158D+00
      6  -0.158644D+02  0.674621D+01  0.656537D+00  0.247676D+01 -0.526876D+00
                41            42            43            44            45 
      1   0.187674D+02  0.361992D+01  0.725572D+01  0.944403D+01  0.113880D+01
      2  -0.109059D+02 -0.903152D+01 -0.226381D+01 -0.115469D+02  0.374878D+01
      3  -0.786151D+01  0.541160D+01 -0.499192D+01  0.210288D+01 -0.488758D+01
      4  -0.564449D+01 -0.113859D+01  0.849194D+01 -0.294615D+00  0.151305D+01
      5   0.126042D+01  0.430764D+01 -0.370186D+01  0.157739D+01 -0.260863D+00
      6  -0.118643D+02 -0.162737D+02 -0.707291D+00 -0.993271D+01  0.366173D+01
                46            47            48            49            50 
      1  -0.331973D+00 -0.753656D+01 -0.128480D+02 -0.917570D+01 -0.217242D+01
      2  -0.594866D+01  0.170733D+01  0.956111D+01  0.667491D+01  0.113487D+01
      3   0.628063D+01  0.582923D+01  0.328688D+01  0.250079D+01  0.103755D+01
      4  -0.126324D+02  0.202236D+01 -0.856054D+01  0.421805D+01  0.173084D+02
      5  -0.148486D+02 -0.407484D+01  0.607681D+01  0.446675D+00 -0.583414D+01
      6  -0.920076D+01 -0.123539D+00  0.216460D+01 -0.221127D+00 -0.346448D+01
                51            52            53            54            55 
      1  -0.515712D+01 -0.178285D+02 -0.770220D+01  0.928041D+01 -0.792502D+01
      2  -0.698949D+00  0.998914D+01  0.348213D+01 -0.436881D+01 -0.603624D+01
      3   0.585607D+01  0.783935D+01  0.422008D+01 -0.491160D+01  0.139613D+02
      4  -0.755488D+01 -0.799058D+01 -0.759009D+01  0.227639D+01  0.198498D+02
      5  -0.356856D+01  0.809723D+01 -0.102779D+01  0.429608D+01  0.325778D-01
      6   0.532157D+01  0.499763D+01 -0.411433D+00  0.245439D+01  0.107272D+01
                56            57            58            59            60 
      1   0.581663D+01  0.324288D+01  0.383836D+01 -0.128702D+02  0.324566D+01
      2   0.573216D+01 -0.976109D+01  0.394805D+01  0.999688D+01 -0.203618D+01
      3  -0.115488D+02  0.651822D+01 -0.778640D+01  0.287335D+01 -0.120948D+01
      4  -0.227797D+02  0.183937D+01 -0.209868D+02  0.554060D+01  0.281302D+01
      5   0.212117D+01  0.692571D+00 -0.718583D+00  0.222990D+01  0.279786D+00
      6  -0.917700D+01 -0.534529D+01 -0.629755D+01  0.282133D+01  0.253943D-01
                61            62            63            64            65 
      1   0.111742D+01  0.591797D+01  0.151083D+01  0.669025D+01  0.808466D+01
      2  -0.624057D+01 -0.725612D+01  0.797031D+01  0.661510D+01  0.175923D+01
      3   0.512315D+01  0.133815D+01 -0.948114D+01 -0.133053D+02 -0.984389D+01
      4   0.386485D+01  0.389992D+01 -0.771474D+01 -0.448220D+01 -0.118492D+00
      5   0.262581D+01 -0.224658D+01 -0.162670D+01 -0.333383D+01  0.321724D+01
      6  -0.546268D+01  0.482985D+01  0.660470D+01  0.636182D+01  0.133890D+02
                66            67            68            69            70 
      1  -0.300490D+01  0.112673D+02 -0.319557D+01 -0.135597D+01  0.368610D+00
      2   0.141223D+02  0.430217D+01 -0.223339D+01 -0.144726D+01  0.111341D+02
      3  -0.111174D+02 -0.155695D+02  0.542896D+01  0.280323D+01 -0.115027D+02
      4   0.220860D+01  0.259806D+01 -0.304277D+01  0.825518D+01 -0.231918D+01
      5  -0.176165D+02  0.131495D+01  0.566697D+01 -0.131343D+02 -0.132279D+02
      6  -0.101961D+02  0.126832D+02 -0.513024D+01  0.530148D+01 -0.467214D+01
                71            72            73            74            75 
      1  -0.565738D+01 -0.469561D+01  0.342349D+02  0.977680D+01  0.103697D+02
      2   0.377572D+01 -0.141947D+01 -0.188113D+02 -0.447989D+01 -0.893685D+01
      3   0.188167D+01  0.611508D+01 -0.154237D+02 -0.529691D+01 -0.143283D+01
      4   0.452224D+01 -0.267034D+00  0.270236D+02  0.145546D+02  0.113432D+02
      5  -0.628459D+01 -0.460692D+01  0.230661D+02  0.881064D+01  0.162220D+02
      6   0.137076D+00  0.631747D+00  0.779661D+01  0.499294D+01  0.561695D+01
                76            77            78            79            80 
      1   0.477050D+01  0.917643D+00 -0.359410D+00  0.108307D+02  0.295030D+01
      2  -0.451550D+00  0.233766D+01  0.495095D+00 -0.820505D+01  0.608597D+00
      3  -0.431895D+01 -0.325531D+01 -0.135685D+00 -0.262563D+01 -0.355889D+01
      4   0.135233D+02  0.125778D+02  0.859082D+01  0.130766D+02  0.118650D+02
      5   0.619585D+01  0.778535D+01  0.622470D+01  0.150866D+02  0.549382D+01
      6   0.493357D+01  0.656664D+01  0.552146D+01  0.614158D+01  0.472571D+01
                81            82            83            84            85 
      1   0.539513D+01 -0.154175D+01 -0.459167D+01  0.542674D+00 -0.241768D+01
      2  -0.574314D+01  0.741969D+01  0.121348D+02 -0.823351D+00  0.801882D+01
      3   0.348005D+00 -0.587794D+01 -0.754314D+01  0.280677D+00 -0.560114D+01
      4   0.823044D+01  0.609022D+01  0.141722D+02 -0.190360D+01  0.824593D+01
      5   0.113604D+02 -0.250170D+00  0.196244D+00  0.206357D+01 -0.183061D+00
      6   0.537221D+01 -0.188021D+01 -0.135095D+01 -0.145754D+00 -0.626332D+00
                86            87            88            89            90 
      1  -0.448316D+02  0.260977D+01  0.137262D+01  0.112970D+02 -0.795494D+01
      2   0.813807D+02 -0.677011D+01 -0.226137D+01 -0.228758D+02  0.912336D+01
      3  -0.365491D+02  0.416034D+01  0.888745D+00  0.115787D+02 -0.116841D+01
      4   0.202140D+02 -0.216601D+01 -0.331231D+01 -0.585031D+01  0.246502D+01
      5  -0.646483D-01  0.688802D+00  0.149322D+01  0.116862D+01 -0.145102D+01
      6  -0.558328D+01  0.827571D+01 -0.222957D+00  0.148097D+02 -0.266584D+01
                91            92            93            94            95 
      1  -0.232169D+01  0.337310D+01  0.543005D+01  0.157336D+01 -0.144792D+02
      2  -0.147528D+01 -0.172885D+01 -0.218405D+01 -0.145981D+01  0.153180D+02
      3   0.379697D+01 -0.164425D+01 -0.324600D+01 -0.113551D+00 -0.838792D+00
      4  -0.343110D+01  0.482356D+01  0.500447D+01  0.137890D+01  0.110692D+01
      5  -0.306914D+01  0.327732D+01  0.679240D+01  0.737089D+00 -0.998215D+00
      6   0.615858D+01 -0.658276D+01 -0.814481D+01 -0.354364D+01  0.117342D+02
                96            97            98            99           100 
      1  -0.879347D+01  0.669431D+01 -0.167064D+02 -0.269742D+02  0.685218D+02
      2   0.670302D+01 -0.144803D+01  0.683295D+01  0.104767D+01 -0.383481D+02
      3   0.209045D+01 -0.524628D+01  0.987342D+01  0.259265D+02 -0.301737D+02
      4  -0.136706D+01  0.354179D+01 -0.194008D+01 -0.204066D+01 -0.950606D+01
      5  -0.990407D+00  0.553741D+01 -0.244787D+01 -0.380065D+01  0.169912D+02
      6   0.135747D+02 -0.732269D+01  0.254233D+02  0.382936D+02 -0.539979D+01
               101           102           103           104           105 
      1   0.243451D+01  0.157645D+02  0.193919D+02  0.485043D+01  0.471840D+01
      2  -0.283067D+01 -0.976218D+01 -0.118041D+02 -0.180684D+01 -0.439902D+01
      3   0.396155D+00 -0.600230D+01 -0.758778D+01 -0.304359D+01 -0.319381D+00
      4   0.742916D+01 -0.207083D+01  0.555693D+01  0.330615D+01  0.298949D+01
      5   0.318698D+00  0.139471D+02  0.452915D+01  0.360640D+01  0.364297D+01
      6  -0.650628D-01 -0.451821D+01 -0.510285D+00 -0.113849D+01  0.849789D+00
               106           107           108           109           110 
      1   0.243812D+02  0.109868D+01  0.122860D+02  0.145696D+02 -0.520292D+01
      2  -0.151481D+02 -0.306706D+01 -0.995881D+01 -0.103086D+02  0.343026D+01
      3  -0.923318D+01  0.196838D+01 -0.232716D+01 -0.426102D+01  0.177266D+01
      4  -0.438364D+01  0.490961D+01 -0.298926D+01 -0.913475D+01  0.584336D+01
      5   0.180145D+02 -0.104092D+01  0.992911D+01 -0.129581D+02  0.787290D+01
      6  -0.468551D+01  0.243395D+01 -0.193544D+01  0.547379D+01 -0.384743D+01
               111           112           113           114           115 
      1  -0.826077D+01 -0.127820D+01 -0.852082D+00  0.151132D+01 -0.144580D+02
      2   0.558215D+01 -0.773969D+00  0.501419D+01  0.373895D+00  0.109529D+02
      3   0.267862D+01  0.205217D+01 -0.416211D+01 -0.188522D+01  0.350509D+01
      4   0.870386D+01  0.104740D+02 -0.166207D+02 -0.103321D+02  0.184304D+02
      5   0.153295D+02  0.684342D+01 -0.943041D+01 -0.979296D+01  0.258176D+02
      6  -0.558204D+01 -0.459073D+01  0.575629D+01  0.991613D+01 -0.111223D+02
               116           117           118           119           120 
      1   0.594194D+01  0.388999D+01 -0.200838D+01 -0.913509D+01  0.453523D+01
      2  -0.432342D+01 -0.136534D+02  0.275538D+01  0.105078D+02 -0.265913D+01
      3  -0.161852D+01  0.976346D+01 -0.746996D+00 -0.137269D+01 -0.187610D+01
      4  -0.186468D+02 -0.194493D+02 -0.210375D+00 -0.146879D+01 -0.304094D+00
      5  -0.211425D+02 -0.449563D+02  0.240528D+01  0.137675D+01  0.122779D+01
      6   0.155968D+02  0.240692D+02 -0.239969D+01 -0.287465D+01  0.133624D+01
               121           122           123           124           125 
      1  -0.688675D+01 -0.219794D+02  0.767252D+01  0.534118D+01  0.978382D+01
      2   0.585475D+00  0.438271D+02 -0.977929D+01 -0.136178D+01 -0.148165D+02
      3   0.630128D+01 -0.218477D+02  0.210677D+01 -0.397939D+01  0.503265D+01
      4   0.134386D+02 -0.431102D+02  0.699817D+01 -0.359484D+01  0.128744D+02
      5   0.354214D+00  0.100915D+02 -0.834092D+01  0.581538D+01 -0.127166D+02
      6   0.165526D+01 -0.152601D+02  0.969225D+01 -0.289372D+01  0.146566D+02
               126           127           128           129           130 
      1  -0.431017D+01 -0.795979D-01 -0.707602D+00 -0.204962D+00  0.629137D+00
      2   0.474958D+01  0.243539D+01  0.334518D+00  0.346454D+00 -0.154018D+01
      3  -0.439406D+00 -0.235579D+01  0.373084D+00 -0.141492D+00  0.911043D+00
      4  -0.994786D+01 -0.725830D+00  0.739247D+01  0.214557D+01  0.682215D+01
      5   0.259525D+01 -0.990393D+00  0.336416D+01  0.349362D+01  0.317438D+01
      6  -0.592322D+01  0.440186D+01 -0.426318D+00  0.594493D+00 -0.289614D+01
               131           132           133           134           135 
      1  -0.212745D+02 -0.100221D+02  0.411615D+00 -0.872075D+01 -0.101590D+02
      2   0.259038D+02  0.769769D+01  0.315690D+00  0.576900D+01  0.210054D+01
      3  -0.462928D+01  0.232440D+01 -0.727305D+00  0.295174D+01  0.805845D+01
      4  -0.176602D+01 -0.120494D+01  0.185337D+01 -0.121298D+01  0.131068D+00
      5  -0.197802D+01 -0.106579D+01  0.284447D+01 -0.876576D+00 -0.182972D+01
      6   0.245517D+02  0.157204D+02 -0.962037D+00  0.147194D+02  0.114258D+02
               136           137           138           139           140 
      1   0.559570D+01  0.634172D+01  0.979068D+01  0.855428D+01  0.124321D+02
      2   0.150521D+02 -0.514045D+01 -0.101640D+02 -0.932693D+01 -0.174318D+02
      3  -0.206478D+02 -0.120126D+01  0.373364D+00  0.772647D+00  0.499966D+01
      4   0.889146D+01  0.243133D+01  0.214731D+01  0.454590D+00 -0.142502D+02
      5   0.120663D+02 -0.778240D+01 -0.198209D+02 -0.114147D+02  0.552343D+01
      6  -0.546793D+01  0.274644D+01  0.313072D+01  0.487554D+01  0.257184D+02
               141           142           143           144           145 
      1  -0.174339D+01  0.932091D+01  0.178769D+01 -0.136012D+02 -0.148126D+02
      2   0.149539D+02 -0.843775D+01  0.881671D+01  0.183330D+01  0.123800D+02
      3  -0.132105D+02 -0.883166D+00 -0.106044D+02  0.117679D+02  0.243257D+01
      4   0.625945D+01  0.373072D+01  0.433586D+01  0.145906D+01  0.196567D+02
      5   0.801223D+01 -0.189621D+02  0.445460D+01  0.297763D+01  0.233208D+02
      6  -0.855464D+01  0.111919D+01 -0.273090D+01 -0.111000D+02  0.693219D+01
               146           147           148           149           150 
      1   0.169625D+02  0.227411D+02  0.270155D+02  0.109716D+02 -0.308337D+01
      2  -0.102193D+02 -0.103028D+02 -0.199377D+02 -0.255204D+02  0.316530D+01
      3  -0.674328D+01 -0.124382D+02 -0.707774D+01  0.145488D+02 -0.819343D-01
      4   0.230583D+01  0.372419D+01 -0.411389D+01 -0.319207D+02  0.622835D+01
      5   0.142151D+01 -0.898647D+01 -0.937809D+00  0.559204D+01  0.915008D+01
      6   0.777591D+00 -0.193219D+01  0.146233D+00 -0.870123D+00  0.295462D+01
               151           152           153           154           155 
      1   0.276356D+02 -0.171028D+01 -0.116636D+02  0.210259D+02 -0.805869D+01
      2  -0.112398D+02  0.268759D+01  0.142300D+02  0.416699D+00 -0.751318D+01
      3  -0.163959D+02 -0.977305D+00 -0.256643D+01 -0.214426D+02  0.155719D+02
      4   0.315281D+01  0.641237D+01  0.571110D+01 -0.326686D+02  0.275177D+02
      5  -0.135138D+02  0.739880D+01 -0.230330D+02  0.291016D+01 -0.251381D+01
      6  -0.330287D+01  0.355154D+01 -0.698461D+01 -0.322429D+01  0.340185D+01
               156           157           158           159           160 
      1  -0.564960D+00 -0.390392D+01 -0.745661D-01 -0.250035D-01 -0.677218D+00
      2   0.955755D+00 -0.920142D+01  0.167929D+02  0.794253D+00  0.603840D+00
      3  -0.390795D+00  0.131053D+02 -0.167183D+02 -0.769249D+00  0.733786D-01
      4  -0.971024D+00  0.233555D+02 -0.256159D+02  0.292354D+00 -0.453036D+00
      5   0.534094D+01 -0.186746D+01  0.144695D+01 -0.222053D+01  0.595811D+01
      6  -0.310440D+01  0.274223D+01 -0.317404D+01  0.469235D+01 -0.411014D+01
               161           162           163           164           165 
      1   0.163822D-03  0.302236D+00  0.271820D+01  0.114078D+01 -0.403413D+01
      2   0.147983D+01  0.578586D+00 -0.130401D+02 -0.203822D+01 -0.141258D+02
      3  -0.147999D+01 -0.880822D+00  0.103219D+02  0.897434D+00  0.181600D+02
      4  -0.267217D+00 -0.534756D+01 -0.127128D+01  0.362192D+01 -0.224033D+01
      5  -0.405233D+01  0.439102D+00  0.185004D+02  0.543671D+00  0.191188D+02
      6   0.615018D+01 -0.218258D+01 -0.357804D+01  0.267517D+01 -0.376006D+01
               166           167           168           169           170 
      1  -0.919471D+00 -0.696005D+00 -0.138105D+01 -0.288160D+01  0.452062D+00
      2  -0.236287D+01 -0.256304D+01 -0.316087D+01 -0.118876D+02 -0.131540D+01
      3   0.328235D+01  0.325905D+01  0.454192D+01  0.147692D+02  0.863341D+00
      4   0.306990D+01  0.551240D+00  0.162647D+01 -0.133580D+01  0.183822D+01
      5   0.150627D+01  0.355600D+01  0.272845D+01  0.164371D+02  0.154938D+01
      6   0.237984D+01  0.133018D+01  0.540770D+01 -0.194311D+01  0.480499D+01
               171           172           173           174           175 
      1  -0.131066D+02 -0.270833D+01 -0.575583D+01  0.839103D+01 -0.451286D+01
      2  -0.207611D+02 -0.352515D+01  0.103214D+01  0.333783D+01  0.719235D+00
      3   0.338677D+02  0.623347D+01  0.472369D+01 -0.117289D+02  0.379363D+01
      4  -0.187741D+01  0.628530D+01  0.521007D+01 -0.546523D+01  0.471513D+01
      5   0.216201D+02 -0.132196D+02 -0.644916D+01  0.137064D+02 -0.578025D+01
      6  -0.563277D+01 -0.939333D+01 -0.109204D+02  0.122586D+02 -0.848610D+01
               176           177           178           179           180 
      1  -0.878080D+01  0.895445D+01  0.450895D+01  0.688521D+01 -0.123529D+02
      2   0.643052D+01 -0.504436D+00  0.196426D+01  0.436688D+00 -0.670081D+01
      3   0.235027D+01 -0.845002D+01 -0.647321D+01 -0.732190D+01  0.190537D+02
      4   0.394380D+01 -0.368564D+01 -0.251495D+01 -0.273942D+01  0.330872D+01
      5  -0.587279D+01  0.625065D+01  0.941768D+01  0.462974D+01 -0.892157D+01
      6  -0.130952D+02  0.135931D+02  0.675368D+01  0.982478D+01 -0.147728D+02
               181           182           183           184           185 
      1  -0.449724D+01 -0.318380D+00 -0.105700D+02 -0.206334D+01 -0.326117D+01
      2  -0.487974D+01 -0.352653D+00 -0.502030D+01  0.793780D+00  0.198294D+01
      3   0.937698D+01  0.671034D+00  0.155903D+02  0.126956D+01  0.127823D+01
      4  -0.743105D+01 -0.536271D+00 -0.234839D+01 -0.719873D+00  0.843350D-02
      5   0.120806D+02  0.259514D+01  0.640419D+01  0.426258D+01  0.120042D+01
      6   0.209318D+01  0.417014D+01 -0.280223D+01  0.282934D+01  0.547516D-01
               186           187           188           189           190 
      1  -0.290406D+01 -0.665442D+01 -0.147134D+01 -0.778901D+01 -0.108348D+01
      2  -0.385151D+01 -0.368752D+01 -0.178727D+01 -0.676451D+01  0.764642D+00
      3   0.675557D+01  0.103419D+02  0.325861D+01  0.145535D+02  0.318842D+00
      4  -0.729520D+00 -0.243687D+01  0.143344D+00 -0.293624D+01  0.260843D+01
      5  -0.123332D+01  0.859007D+01  0.270033D+00  0.560244D+01 -0.318791D+01
      6   0.276293D+01 -0.254391D+00  0.303812D+01  0.109210D+01 -0.346452D+01
               191           192           193           194           195 
      1   0.190280D+01 -0.136519D+01  0.327339D+00 -0.211851D+02  0.113554D+02
      2  -0.458202D+00  0.181253D+01  0.193333D+01  0.303404D+02 -0.625455D+01
      3  -0.144459D+01 -0.447333D+00 -0.226067D+01 -0.915534D+01 -0.510084D+01
      4   0.672905D+01 -0.239099D+01  0.841041D+01  0.177531D+02 -0.644854D+01
      5  -0.344131D+01  0.551626D+01 -0.441206D+01 -0.608101D+01  0.508681D+01
      6  -0.175788D+01  0.619610D+00 -0.440096D+01 -0.354260D+02  0.191611D+02
               196           197           198           199           200 
      1  -0.334867D+00  0.540023D+01 -0.468122D+01  0.145116D+02 -0.301193D+01
      2   0.128180D+01 -0.956598D+00  0.155675D+01 -0.201498D+02  0.360528D+01
      3  -0.946932D+00 -0.444363D+01  0.312447D+01  0.563821D+01 -0.593351D+00
      4  -0.891295D+00 -0.232627D+01  0.302462D+01 -0.106344D+01  0.485736D+01
      5   0.395192D+01  0.248922D+01 -0.287542D+01 -0.284939D+02  0.480918D+01
      6   0.107226D+01  0.110922D+02 -0.745807D+01  0.357948D+01 -0.607100D+01
               201           202           203           204           205 
      1  -0.373660D+01 -0.479118D+01 -0.412688D-01 -0.241340D+00 -0.223817D+01
      2   0.164878D+02  0.682496D+01 -0.131045D+01 -0.812960D+01  0.123971D+02
      3  -0.127513D+02 -0.203378D+01  0.135172D+01  0.837094D+01 -0.101589D+02
      4  -0.469044D-01  0.459718D+01 -0.255714D+01 -0.444420D+01 -0.513533D+00
      5   0.257832D+02  0.105349D+02 -0.697604D+01 -0.101249D+02  0.198535D+02
      6  -0.961705D+00 -0.587235D+01  0.219237D+01  0.665271D+01 -0.162761D+01
               206           207           208           209           210 
      1  -0.250883D+00 -0.204638D+01  0.765953D+01 -0.266425D+01  0.583134D+01
      2  -0.383313D+01 -0.171253D+02 -0.757637D+01  0.148655D+01 -0.616524D+01
      3   0.408402D+01  0.191717D+02 -0.831539D-01  0.117770D+01  0.333899D+00
      4  -0.275413D+01 -0.117973D+01 -0.148255D+01  0.110464D+01  0.885220D+00
      5  -0.406822D+01 -0.226453D+02  0.821598D+01 -0.615957D+00  0.131808D+02
      6   0.512975D+01  0.246198D+01  0.112918D+01  0.399179D+00  0.210373D+01
               211           212           213           214           215 
      1  -0.684920D+01 -0.112839D+01 -0.905520D+00  0.104920D+02  0.975173D+00
      2   0.445237D+01  0.132570D+01  0.209059D+01 -0.905955D+01  0.151373D+01
      3   0.239683D+01 -0.197308D+00 -0.118507D+01 -0.143244D+01 -0.248890D+01
      4   0.233718D+01  0.122362D+01  0.429548D+01  0.407884D+01  0.647098D+01
      5  -0.167246D+01  0.382770D+01 -0.407447D+01  0.187154D+02 -0.918271D+00
      6   0.789389D+00  0.816404D-01  0.299918D+01  0.454038D+01  0.396850D+01
               216           217           218           219           220 
      1   0.314345D+01  0.620128D+02 -0.723892D+01 -0.158388D+02 -0.215114D+02
      2  -0.167047D+02 -0.335302D+02  0.507565D+01  0.886922D+01  0.125523D+02
      3   0.135613D+02 -0.284826D+02  0.216327D+01  0.696956D+01  0.895914D+01
      4   0.133932D+00 -0.915659D+00  0.807919D+01  0.460098D+00  0.974099D+01
      5   0.372936D+02 -0.159758D+02  0.161199D+01  0.124544D+02  0.433246D+01
      6   0.106904D+02 -0.356260D+01  0.158713D+00  0.266340D+01 -0.168902D-01
               221           222           223           224           225 
      1   0.614628D+01  0.401478D+01 -0.265263D+02  0.131813D+01  0.119442D+02
      2  -0.918153D+00 -0.294908D+01  0.147578D+02 -0.189027D+01 -0.976743D+01
      3  -0.522813D+01 -0.106570D+01  0.117685D+02  0.572145D+00 -0.217680D+01
      4  -0.278748D+01 -0.413621D+01 -0.128818D+01 -0.613619D+01 -0.183964D+01
      5  -0.385964D+01 -0.582670D+01  0.164120D+02 -0.260202D+01 -0.108169D+02
      6   0.240718D+00  0.351539D+00  0.265444D+01  0.622502D+00 -0.136442D+01
               226           227           228           229           230 
      1   0.422361D+01  0.544088D+01 -0.261922D+01  0.569926D+01 -0.125463D+02
      2   0.132273D+01 -0.127701D+01  0.130531D+01  0.574943D+01  0.381907D+02
      3  -0.554635D+01 -0.416387D+01  0.131391D+01 -0.114487D+02 -0.256443D+02
      4   0.578459D+01  0.946168D+01 -0.576938D+00  0.211219D+02  0.477017D+02
      5  -0.231238D+01  0.292980D+00  0.183565D+01  0.117132D+01 -0.126766D+01
      6  -0.502990D+00  0.525910D-01 -0.148748D+00  0.118883D+01  0.353341D+01
               231           232           233           234 
      1   0.121369D+01 -0.472011D+01  0.488229D+00 -0.651785D+00
      2  -0.167638D+01  0.144721D+01 -0.221864D+01  0.182604D+01
      3   0.462690D+00  0.327290D+01  0.173041D+01 -0.117426D+01
      4  -0.116604D+01 -0.223026D+01 -0.352844D+01  0.454571D+01
      5   0.581135D+01  0.422202D+01  0.489122D+01  0.793500D+00
      6   0.639455D+01  0.218051D+01  0.621804D+01 -0.538495D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 14:26:18 2021, MaxMem= 10737418240 cpu:           26455.8 elap:            1656.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.44427 -10.43599 -10.43592 -10.43538 -10.43161
 Alpha  occ. eigenvalues --  -10.42874 -10.42729 -10.42173 -10.42133 -10.41496
 Alpha  occ. eigenvalues --   -1.02174  -0.91933  -0.88059  -0.86207  -0.80729
 Alpha  occ. eigenvalues --   -0.79607  -0.73428  -0.71741  -0.66715  -0.61400
 Alpha  occ. eigenvalues --   -0.58774  -0.56723  -0.55670  -0.54218  -0.53079
 Alpha  occ. eigenvalues --   -0.51761  -0.51459  -0.50198  -0.49082  -0.47674
 Alpha  occ. eigenvalues --   -0.47308  -0.45912  -0.45297  -0.42701  -0.39271
 Alpha  occ. eigenvalues --   -0.39197  -0.37354  -0.32260
 Alpha virt. eigenvalues --    0.04663   0.06482   0.06834   0.06927   0.08943
 Alpha virt. eigenvalues --    0.09411   0.09773   0.10307   0.12361   0.12801
 Alpha virt. eigenvalues --    0.13583   0.14977   0.15304   0.15894   0.16892
 Alpha virt. eigenvalues --    0.17581   0.18189   0.19276   0.19993   0.20684
 Alpha virt. eigenvalues --    0.21035   0.21359   0.21868   0.22943   0.23710
 Alpha virt. eigenvalues --    0.24201   0.25547   0.26674   0.27147   0.27608
 Alpha virt. eigenvalues --    0.28022   0.28916   0.29286   0.29662   0.30829
 Alpha virt. eigenvalues --    0.31069   0.31952   0.32245   0.32675   0.33047
 Alpha virt. eigenvalues --    0.33617   0.34265   0.34610   0.35602   0.36227
 Alpha virt. eigenvalues --    0.36722   0.37166   0.37241   0.37847   0.38162
 Alpha virt. eigenvalues --    0.38703   0.39263   0.39439   0.39635   0.40336
 Alpha virt. eigenvalues --    0.40452   0.40575   0.41330   0.41566   0.42227
 Alpha virt. eigenvalues --    0.42486   0.42695   0.42842   0.43626   0.43829
 Alpha virt. eigenvalues --    0.44663   0.45242   0.45417   0.45854   0.46427
 Alpha virt. eigenvalues --    0.47031   0.47655   0.48262   0.48868   0.49444
 Alpha virt. eigenvalues --    0.49680   0.49899   0.50338   0.51143   0.51357
 Alpha virt. eigenvalues --    0.51902   0.52664   0.53517   0.53620   0.54417
 Alpha virt. eigenvalues --    0.54831   0.55357   0.55420   0.56082   0.56551
 Alpha virt. eigenvalues --    0.57153   0.57737   0.57872   0.58137   0.59043
 Alpha virt. eigenvalues --    0.59340   0.60029   0.60229   0.61569   0.62169
 Alpha virt. eigenvalues --    0.62496   0.63105   0.63410   0.63747   0.64191
 Alpha virt. eigenvalues --    0.64930   0.65938   0.66641   0.67369   0.67621
 Alpha virt. eigenvalues --    0.68139   0.68853   0.70818   0.71074   0.71184
 Alpha virt. eigenvalues --    0.72273   0.72853   0.73955   0.74577   0.74760
 Alpha virt. eigenvalues --    0.76618   0.77088   0.77363   0.78905   0.79875
 Alpha virt. eigenvalues --    0.80922   0.81607   0.83777   0.84109   0.84989
 Alpha virt. eigenvalues --    0.86439   0.87052   0.87339   0.88512   0.90955
 Alpha virt. eigenvalues --    0.92045   0.98600   1.00675   1.02391   1.02883
 Alpha virt. eigenvalues --    1.04357   1.05256   1.05501   1.06057   1.06723
 Alpha virt. eigenvalues --    1.07734   1.08122   1.08979   1.09695   1.10569
 Alpha virt. eigenvalues --    1.11443   1.12076   1.12819   1.14110   1.15343
 Alpha virt. eigenvalues --    1.16498   1.17314   1.18668   1.19140   1.20253
 Alpha virt. eigenvalues --    1.22534   1.24585   1.25473   1.26307   1.26749
 Alpha virt. eigenvalues --    1.28665   1.30646   1.33453   1.34411   1.34928
 Alpha virt. eigenvalues --    1.36290   1.39635   1.40720   1.41844   1.42463
 Alpha virt. eigenvalues --    1.44297   1.44797   1.46326   1.47361   1.48376
 Alpha virt. eigenvalues --    1.50072   1.51353   1.54048   1.54407   1.56953
 Alpha virt. eigenvalues --    1.58318   1.60258   1.63903   1.65857   1.69115
 Alpha virt. eigenvalues --    1.70647   1.73764   1.76077   1.77409   1.78623
 Alpha virt. eigenvalues --    1.79713   1.80994   1.82450   1.85119   1.85918
 Alpha virt. eigenvalues --    1.86389   1.86920   1.89176   1.90487   1.94608
 Alpha virt. eigenvalues --    1.95462   1.96069   1.96762   1.98747   1.99888
 Alpha virt. eigenvalues --    2.01866   2.03994   2.05200   2.05495   2.06235
 Alpha virt. eigenvalues --    2.08770   2.10222   2.11311   2.11971   2.12429
 Alpha virt. eigenvalues --    2.13943   2.14750   2.15344   2.16017   2.18703
 Alpha virt. eigenvalues --    2.19790   2.21091   2.22285   2.23481   2.24687
 Alpha virt. eigenvalues --    2.25843   2.26652   2.28151   2.28708   2.30736
 Alpha virt. eigenvalues --    2.32475   2.34533   2.35499   2.35978   2.37236
 Alpha virt. eigenvalues --    2.40022   2.40478   2.41860   2.43082   2.44651
 Alpha virt. eigenvalues --    2.47154   2.48085   2.49574   2.51545   2.55130
 Alpha virt. eigenvalues --    2.55979   2.58194   2.59972   2.61565   2.63977
 Alpha virt. eigenvalues --    2.65039   2.66013   2.68638   2.70760   2.71898
 Alpha virt. eigenvalues --    2.72236   2.73922   2.75409   2.77099   2.78373
 Alpha virt. eigenvalues --    2.79807   2.81905   2.85699   2.87085   2.89446
 Alpha virt. eigenvalues --    2.96199   3.01548   3.05500   3.07230   3.08208
 Alpha virt. eigenvalues --    3.10056   3.14943   3.16910   3.18062   3.20553
 Alpha virt. eigenvalues --    3.22141   3.23265   3.25829   3.27985   3.28532
 Alpha virt. eigenvalues --    3.30189   3.32437   3.35243   3.38620   3.49096
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.242138   0.161399  -0.121222  -0.408078  -0.461064  -0.035282
     2  C    0.161399   5.020944   0.045925  -0.005023  -0.104643   0.097131
     3  C   -0.121222   0.045925   8.794249  -0.572547  -0.024969  -0.194079
     4  C   -0.408078  -0.005023  -0.572547   6.102327  -0.415888   0.090175
     5  C   -0.461064  -0.104643  -0.024969  -0.415888   7.970970  -1.353429
     6  C   -0.035282   0.097131  -0.194079   0.090175  -1.353429  14.534692
     7  C    0.261932   0.074480  -0.214152   0.005472   0.697313  -1.439450
     8  C   -0.214145  -0.080867  -0.265685   0.059344  -0.199968   0.131152
     9  H   -0.711610  -0.373486  -0.020569   0.049221   0.086718  -0.027702
    10  H    0.029169   0.184047  -0.041623  -0.002727   0.049727   0.071178
    11  H   -0.056892   0.334656   0.032191  -0.001636  -0.003135   0.045495
    12  H   -0.090813  -0.000039   0.025439   0.237491   0.053567  -0.004113
    13  H    0.057095  -0.001115   0.218722   0.040369  -0.025139   0.008394
    14  H    0.029469   0.000019   0.188259   0.141473  -0.074197   0.000771
    15  H   -0.006726   0.001402  -0.461468  -0.199529  -0.117068  -0.770619
    16  C   -0.072882  -0.168265  -0.187434  -0.003540   0.121928  -2.183833
    17  C   -0.000727   0.049814   0.069862   0.000765  -0.196802  -0.069203
    18  H   -0.061890  -0.547940   0.073213  -0.003424  -0.009960  -0.788673
    19  H    0.062584   0.080072   0.047530   0.004567   0.011698  -0.087564
    20  H   -0.112893  -0.125209  -0.109326   0.005328  -0.093173   0.190274
    21  H   -0.011765   0.003464  -0.097503   0.009186  -0.061463  -0.065976
    22  H   -0.006318   0.007424   0.012712  -0.000620   0.018002   0.223826
    23  H    0.004883  -0.006127   0.011341  -0.001494   0.009597   0.237322
    24  H   -0.002947   0.002962   0.005322  -0.000277  -0.083386   0.440793
    25  H    0.000417  -0.002939  -0.007426  -0.000178   0.035237   0.119416
    26  H    0.001451  -0.003469  -0.002961  -0.000723   0.036485   0.143564
               7          8          9         10         11         12
     1  C    0.261932  -0.214145  -0.711610   0.029169  -0.056892  -0.090813
     2  C    0.074480  -0.080867  -0.373486   0.184047   0.334656  -0.000039
     3  C   -0.214152  -0.265685  -0.020569  -0.041623   0.032191   0.025439
     4  C    0.005472   0.059344   0.049221  -0.002727  -0.001636   0.237491
     5  C    0.697313  -0.199968   0.086718   0.049727  -0.003135   0.053567
     6  C   -1.439450   0.131152  -0.027702   0.071178   0.045495  -0.004113
     7  C    6.868870  -0.143157   0.006227   0.023851  -0.139593   0.000484
     8  C   -0.143157   5.345657   0.012573  -0.054755   0.027055   0.003253
     9  H    0.006227   0.012573   2.435607  -0.116166  -0.048535   0.040493
    10  H    0.023851  -0.054755  -0.116166   1.056066  -0.120531  -0.000687
    11  H   -0.139593   0.027055  -0.048535  -0.120531   1.042950  -0.000424
    12  H    0.000484   0.003253   0.040493  -0.000687  -0.000424   0.763519
    13  H   -0.001060  -0.000902  -0.024644   0.000690   0.000134  -0.123084
    14  H    0.001377  -0.002862  -0.025227   0.000410   0.000414  -0.133986
    15  H    0.047557  -0.050152   0.019106  -0.005299  -0.003526   0.013909
    16  C    0.167158   0.140806   0.032140  -0.014691  -0.055407   0.003526
    17  C   -0.181770  -0.105228   0.000093  -0.000666   0.004259   0.000054
    18  H    0.178011   0.017212   0.028973  -0.109426  -0.099406   0.000107
    19  H   -0.007113  -0.033077  -0.000648   0.007056  -0.001278  -0.000397
    20  H   -0.022466   0.128890   0.010316  -0.028679   0.001982   0.001409
    21  H   -0.026428   0.026603  -0.001816  -0.007061  -0.033540   0.000832
    22  H    0.001307  -0.009302  -0.002577   0.000521   0.003518  -0.000419
    23  H    0.044558  -0.015386  -0.001781   0.001912  -0.003793  -0.000047
    24  H   -0.121870  -0.034517  -0.000033   0.000621   0.001126   0.000007
    25  H    0.031348  -0.000154   0.000019  -0.001226  -0.001086  -0.000002
    26  H    0.048319   0.002710   0.000021  -0.000185  -0.000721   0.000022
              13         14         15         16         17         18
     1  C    0.057095   0.029469  -0.006726  -0.072882  -0.000727  -0.061890
     2  C   -0.001115   0.000019   0.001402  -0.168265   0.049814  -0.547940
     3  C    0.218722   0.188259  -0.461468  -0.187434   0.069862   0.073213
     4  C    0.040369   0.141473  -0.199529  -0.003540   0.000765  -0.003424
     5  C   -0.025139  -0.074197  -0.117068   0.121928  -0.196802  -0.009960
     6  C    0.008394   0.000771  -0.770619  -2.183833  -0.069203  -0.788673
     7  C   -0.001060   0.001377   0.047557   0.167158  -0.181770   0.178011
     8  C   -0.000902  -0.002862  -0.050152   0.140806  -0.105228   0.017212
     9  H   -0.024644  -0.025227   0.019106   0.032140   0.000093   0.028973
    10  H    0.000690   0.000410  -0.005299  -0.014691  -0.000666  -0.109426
    11  H    0.000134   0.000414  -0.003526  -0.055407   0.004259  -0.099406
    12  H   -0.123084  -0.133986   0.013909   0.003526   0.000054   0.000107
    13  H    0.722411   0.120682  -0.051152  -0.001187   0.000020  -0.000393
    14  H    0.120682   0.732312  -0.041079  -0.009862   0.000836  -0.000389
    15  H   -0.051152  -0.041079   2.721864   0.225831  -0.064713   0.060229
    16  C   -0.001187  -0.009862   0.225831   6.661535  -0.496885   0.249242
    17  C    0.000020   0.000836  -0.064713  -0.496885   5.493166  -0.112535
    18  H   -0.000393  -0.000389   0.060229   0.249242  -0.112535   2.985026
    19  H    0.003958   0.000498  -0.127033  -0.017275   0.054098  -0.239458
    20  H   -0.008035   0.000049   0.138420   0.003817  -0.009226   0.157054
    21  H   -0.000937  -0.002046   0.022217   0.449226   0.005580   0.029024
    22  H   -0.000390   0.002611   0.016080  -0.104105   0.026755  -0.002241
    23  H   -0.000035   0.000150  -0.000842  -0.108786   0.009458   0.004042
    24  H   -0.000079   0.000088  -0.014891  -0.025010   0.314223  -0.038178
    25  H   -0.000002  -0.000025   0.002838   0.043757  -0.113214   0.028236
    26  H   -0.000102  -0.000164   0.007591   0.038495  -0.164165   0.008961
              19         20         21         22         23         24
     1  C    0.062584  -0.112893  -0.011765  -0.006318   0.004883  -0.002947
     2  C    0.080072  -0.125209   0.003464   0.007424  -0.006127   0.002962
     3  C    0.047530  -0.109326  -0.097503   0.012712   0.011341   0.005322
     4  C    0.004567   0.005328   0.009186  -0.000620  -0.001494  -0.000277
     5  C    0.011698  -0.093173  -0.061463   0.018002   0.009597  -0.083386
     6  C   -0.087564   0.190274  -0.065976   0.223826   0.237322   0.440793
     7  C   -0.007113  -0.022466  -0.026428   0.001307   0.044558  -0.121870
     8  C   -0.033077   0.128890   0.026603  -0.009302  -0.015386  -0.034517
     9  H   -0.000648   0.010316  -0.001816  -0.002577  -0.001781  -0.000033
    10  H    0.007056  -0.028679  -0.007061   0.000521   0.001912   0.000621
    11  H   -0.001278   0.001982  -0.033540   0.003518  -0.003793   0.001126
    12  H   -0.000397   0.001409   0.000832  -0.000419  -0.000047   0.000007
    13  H    0.003958  -0.008035  -0.000937  -0.000390  -0.000035  -0.000079
    14  H    0.000498   0.000049  -0.002046   0.002611   0.000150   0.000088
    15  H   -0.127033   0.138420   0.022217   0.016080  -0.000842  -0.014891
    16  C   -0.017275   0.003817   0.449226  -0.104105  -0.108786  -0.025010
    17  C    0.054098  -0.009226   0.005580   0.026755   0.009458   0.314223
    18  H   -0.239458   0.157054   0.029024  -0.002241   0.004042  -0.038178
    19  H    2.441655  -1.055954  -0.001978  -0.001952  -0.001380  -0.047208
    20  H   -1.055954   2.448948   0.004099  -0.000321  -0.000643   0.008460
    21  H   -0.001978   0.004099   1.180651  -0.133825  -0.207112  -0.005790
    22  H   -0.001952  -0.000321  -0.133825   0.837012  -0.000134   0.002109
    23  H   -0.001380  -0.000643  -0.207112  -0.000134   0.875288   0.001963
    24  H   -0.047208   0.008460  -0.005790   0.002109   0.001963   1.026819
    25  H    0.001277   0.001527   0.008542  -0.012112  -0.000299  -0.126581
    26  H    0.004035   0.001547   0.011144   0.000050  -0.010946  -0.153467
              25         26
     1  C    0.000417   0.001451
     2  C   -0.002939  -0.003469
     3  C   -0.007426  -0.002961
     4  C   -0.000178  -0.000723
     5  C    0.035237   0.036485
     6  C    0.119416   0.143564
     7  C    0.031348   0.048319
     8  C   -0.000154   0.002710
     9  H    0.000019   0.000021
    10  H   -0.001226  -0.000185
    11  H   -0.001086  -0.000721
    12  H   -0.000002   0.000022
    13  H   -0.000002  -0.000102
    14  H   -0.000025  -0.000164
    15  H    0.002838   0.007591
    16  C    0.043757   0.038495
    17  C   -0.113214  -0.164165
    18  H    0.028236   0.008961
    19  H    0.001277   0.004035
    20  H    0.001527   0.001547
    21  H    0.008542   0.011144
    22  H   -0.012112   0.000050
    23  H   -0.000299  -0.010946
    24  H   -0.126581  -0.153467
    25  H    0.865940  -0.029397
    26  H   -0.029397   0.903987
 Mulliken charges:
               1
     1  C   -0.475283
     2  C    1.355384
     3  C   -1.203800
     4  C    0.869964
     5  C    0.133042
     6  C   -3.314262
     7  C   -0.161205
     8  C    1.314902
     9  H   -0.366712
    10  H    0.078477
    11  H    0.075723
    12  H    0.209900
    13  H    0.065780
    14  H    0.070419
    15  H   -0.362947
    16  C    1.311702
    17  C    1.486152
    18  H   -0.805418
    19  H   -0.096714
    20  H   -0.536196
    21  H   -0.093328
    22  H    0.122387
    23  H    0.158291
    24  H   -0.150261
    25  H    0.156086
    26  H    0.157918
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.841996
     2  C    1.509584
     3  C   -1.203800
     4  C    1.216063
     5  C   -0.229905
     6  C   -3.314262
     7  C   -0.966623
     8  C    0.681992
    16  C    1.499051
    17  C    1.649895
 Electronic spatial extent (au):  <R**2>=           1369.0465
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0923    Y=             -0.1212    Z=             -0.0687  Tot=              0.1671
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.1703   YY=            -62.6309   ZZ=            -64.3725
   XY=             -0.6740   XZ=              0.4862   YZ=              0.9353
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.2209   YY=              0.7604   ZZ=             -0.9813
   XY=             -0.6740   XZ=              0.4862   YZ=              0.9353
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              3.2945  YYY=             -0.6701  ZZZ=             -2.5727  XYY=              1.0239
  XXY=              0.6669  XXZ=              2.0409  XZZ=             -0.6980  YZZ=              0.6653
  YYZ=              0.7162  XYZ=              1.1391
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -965.8166 YYYY=           -517.5107 ZZZZ=           -428.9627 XXXY=             -6.7222
 XXXZ=              5.1971 YYYX=              1.7842 YYYZ=             -2.2802 ZZZX=              1.3805
 ZZZY=              5.4900 XXYY=           -252.1002 XXZZ=           -228.5204 YYZZ=           -159.1079
 XXYZ=              5.0959 YYXZ=             -0.0698 ZZXY=             -1.2793
 N-N= 5.686660221298D+02 E-N=-2.037820623158D+03  KE= 3.850299011732D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 14:26:19 2021, MaxMem= 10737418240 cpu:               5.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.01354395D-02-4.67109708D-02-2.98293330D-02
 Polarizability= 1.17628112D+02-3.73203591D-01 1.14129905D+02
                 4.01355505D-01 4.33344675D+00 1.02520822D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.1946   -0.1924       -0.0390   -0.0431
 2      0.1946    0.1924       -2.3084   -2.3122       -1.4116   -1.4055
 3      0.0390    0.0431        7.5322    7.5258        2.3144    2.3122
 4      2.3084    2.3122       -0.0000    0.0000        0.0377    0.0431
 5     -6.1206   -6.1203       -0.0377   -0.0431       -0.1956   -0.1924
 6     -2.3144   -2.3122        0.1956    0.1924       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.5771    0.5771       -0.1292   -0.1292
 2      6.9365    6.9365        0.0000    0.0000       -0.1292   -0.1292
 3      6.9365    6.9365        0.5771    0.5771       -0.0000    0.0000
 4      0.5771    0.5771       -6.9365   -6.9365       -4.2166   -4.2166
 5      0.1292    0.1292       22.5774   22.5774        6.9365    6.9365
 6    -18.3608  -18.3608       -0.1292   -0.1292       -0.5771   -0.5771
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3015    0.0000        0.7655    0.7694        0.1377    0.1723
 2     -0.6942   -0.7694       10.0136    9.2486        5.6031    5.6221
 3      0.1117   -0.1723      -30.0235  -30.1032       -8.8952   -9.2486
 4     -9.6637   -9.2486       -0.1443    0.0000       -0.6194   -0.1723
 5     24.2817   24.4811       -0.2178    0.1723        0.6498    0.7694
 6      9.4614    9.2486       -0.9348   -0.7694        0.0992    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2155    0.0000       12.0264   11.7101       -6.8265   -6.5870
 2    -11.3907  -11.7101      -25.9353  -25.5909      -31.0640  -31.0829
 3      6.4182    6.5870      -27.9256  -28.0049       24.9919   25.5909
 4     25.2931   25.5909       -0.2147    0.0000        5.7110    6.5870
 5     58.9236   59.0878       -6.5713   -6.5870       13.0390   11.7101
 6    -25.3309  -25.5909      -11.8684  -11.7101        1.1941    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     22.2130   22.2031       38.0362   37.4660       -3.7467   -4.3722
 2     52.8938   52.8836       54.6003   54.0915       -5.0728   -4.3722
 3     52.3972   52.8836       37.8430   37.4660       -5.9352   -5.5857
 4    -16.4419  -16.6256      -30.7811  -30.6804      -38.0742  -38.5323
 5     -1.3018   -1.2135      -23.2210  -22.7091       29.9927   30.6804
 6     60.8709   61.2414        1.6205    1.2135       18.5155   16.6256
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.9800   -0.0005    0.0001    0.0005    5.6420    9.5001
 Low frequencies ---  124.3867  182.0856  195.0144
 Diagonal vibrational polarizability:
        1.7543591       1.9093594       3.3530616
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    124.3849               182.0848               195.0142
 Red. masses --      2.6490                 1.0304                 1.8429
 Frc consts  --      0.0241                 0.0201                 0.0413
 IR Inten    --      0.9979                 0.0619                 0.0468
 RamAct Fr= 1--      1.6141                 0.0557                 0.6989
  Dep-P Fr= 1--      0.7464                 0.7486                 0.7370
  Dep-U Fr= 1--      0.8548                 0.8563                 0.8486
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0002
 Beta2  Fr= 1--      0.2299                 0.0079                 0.0988
 AlphaG Fr= 1--     -0.0045                -0.0000                -0.0001
 Gamma2 Fr= 1--     -0.0337                -0.0373                 0.3129
 Delta2 Fr= 1--     -0.0679                -0.0105                 0.0196
 Raman1 Fr= 1--       6.456                  0.223                  2.796
 ROA1   Fr= 1--      -5.407                 -3.914                 30.669
 CID1   Fr= 1--      -0.837                -17.567                 10.970
 Raman2 Fr= 1--       2.759                  0.095                  1.186
 ROA2   Fr= 1--      -0.266                 -0.811                  7.354
 CID2   Fr= 1--      -0.096                 -8.498                  6.200
 Raman3 Fr= 1--       5.519                  0.191                  2.372
 ROA3   Fr= 1--      -5.407                 -3.914                 30.669
 CID3   Fr= 1--      -0.980                -20.517                 12.928
 RC180  Fr= 1--       0.710                  0.713                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.07    -0.00  -0.01   0.01     0.00   0.03  -0.03
     2   6     0.01   0.05  -0.04     0.01   0.01  -0.01    -0.01   0.01  -0.01
     3   6    -0.01   0.03  -0.05    -0.01  -0.01   0.01     0.00   0.01   0.02
     4   6    -0.12  -0.10   0.21    -0.00  -0.00  -0.02     0.06   0.07   0.03
     5   6     0.00   0.07  -0.09    -0.01  -0.00   0.01    -0.00  -0.05   0.03
     6   6     0.04  -0.01  -0.02    -0.00   0.01   0.00    -0.01  -0.02   0.00
     7   6    -0.02   0.02   0.03     0.00   0.01  -0.00     0.02  -0.02  -0.01
     8   6    -0.06   0.08  -0.01     0.00  -0.00   0.00     0.02  -0.06  -0.00
     9   1    -0.02  -0.00   0.01    -0.00  -0.01   0.01     0.02   0.07  -0.10
    10   1    -0.03   0.04  -0.07     0.02  -0.01  -0.04    -0.03   0.02  -0.01
    11   1     0.06   0.05  -0.03     0.00   0.05  -0.02    -0.01  -0.01  -0.01
    12   1    -0.13  -0.14   0.25    -0.02  -0.03   0.03     0.15   0.30  -0.29
    13   1    -0.05  -0.33   0.29     0.02   0.07  -0.03    -0.16  -0.22   0.05
    14   1    -0.30   0.02   0.35    -0.01  -0.03  -0.09     0.26   0.19   0.39
    15   1     0.01   0.09  -0.13    -0.01  -0.00   0.01     0.02  -0.06   0.05
    16   6     0.15  -0.11  -0.05     0.01  -0.02  -0.00     0.01  -0.14  -0.03
    17   6     0.03  -0.02   0.03    -0.00   0.01   0.00    -0.10   0.16   0.01
    18   1    -0.05  -0.01   0.09     0.01   0.01  -0.01     0.01  -0.03  -0.04
    19   1    -0.08   0.08   0.00     0.00   0.00   0.00     0.02  -0.06  -0.00
    20   1    -0.10   0.13  -0.02     0.01  -0.01   0.00     0.03  -0.09  -0.01
    21   1     0.13  -0.03  -0.07    -0.17   0.33   0.11     0.01  -0.17  -0.02
    22   1     0.28  -0.12  -0.14     0.45  -0.05  -0.08     0.03  -0.15  -0.15
    23   1     0.12  -0.25   0.03    -0.22  -0.40  -0.05     0.01  -0.22   0.04
    24   1    -0.05   0.04   0.05     0.17  -0.30  -0.09    -0.12   0.25   0.04
    25   1     0.05  -0.10   0.11    -0.03   0.29  -0.24    -0.01   0.25   0.08
    26   1     0.08  -0.03  -0.04    -0.15   0.05   0.34    -0.25   0.15  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    204.2232               225.1366               264.2680
 Red. masses --      1.2526                 1.1172                 2.8534
 Frc consts  --      0.0308                 0.0334                 0.1174
 IR Inten    --      0.1289                 0.1561                 0.0331
 RamAct Fr= 1--      0.2428                 0.2959                 1.7107
  Dep-P Fr= 1--      0.7479                 0.7491                 0.6013
  Dep-U Fr= 1--      0.8557                 0.8565                 0.7510
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0047
 Beta2  Fr= 1--      0.0346                 0.0422                 0.2141
 AlphaG Fr= 1--      0.0007                 0.0005                 0.0034
 Gamma2 Fr= 1--     -0.2725                 0.2167                 0.0067
 Delta2 Fr= 1--      0.0356                 0.0069                -0.0206
 Raman1 Fr= 1--       0.971                  1.183                  6.843
 ROA1   Fr= 1--     -25.015                 21.024                 -0.018
 CID1   Fr= 1--     -25.753                 17.765                 -0.003
 Raman2 Fr= 1--       0.416                  0.507                  2.570
 ROA2   Fr= 1--      -6.824                  5.146                  0.325
 CID2   Fr= 1--     -16.419                 10.153                  0.126
 Raman3 Fr= 1--       0.831                  1.014                  5.139
 ROA3   Fr= 1--     -25.015                 21.024                 -0.018
 CID3   Fr= 1--     -30.095                 20.740                 -0.003
 RC180  Fr= 1--       0.711                  0.713                  0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01    -0.01  -0.00  -0.01    -0.12  -0.10   0.17
     2   6    -0.01   0.01  -0.03    -0.02  -0.02   0.03    -0.09  -0.06   0.08
     3   6    -0.01  -0.00   0.02     0.01   0.01  -0.03    -0.04  -0.03   0.01
     4   6     0.03   0.03   0.02     0.01   0.01   0.03    -0.01   0.01  -0.02
     5   6     0.00  -0.02  -0.01     0.01   0.00  -0.04     0.01  -0.00  -0.08
     6   6     0.00  -0.01  -0.00     0.01  -0.03  -0.01     0.02   0.03  -0.06
     7   6     0.01  -0.01  -0.02    -0.01  -0.02   0.01     0.00   0.01  -0.11
     8   6     0.00  -0.04  -0.02    -0.01   0.02  -0.01     0.07   0.01  -0.08
     9   1    -0.03  -0.01   0.04    -0.02  -0.01   0.01    -0.17  -0.15   0.29
    10   1     0.01  -0.01  -0.06    -0.05   0.00   0.08     0.02  -0.04   0.20
    11   1    -0.03   0.04  -0.04    -0.02  -0.08   0.04    -0.25  -0.14   0.04
    12   1    -0.15  -0.13   0.46    -0.02   0.02   0.08     0.06   0.11  -0.21
    13   1     0.39   0.44   0.02     0.07  -0.01   0.05    -0.16  -0.12  -0.03
    14   1    -0.11  -0.15  -0.44    -0.02   0.02   0.03     0.11   0.06   0.16
    15   1     0.01  -0.03   0.00     0.03   0.02  -0.07     0.01  -0.00  -0.08
    16   6     0.04  -0.05  -0.02     0.03   0.00  -0.01     0.17   0.12  -0.05
    17   6    -0.05   0.08   0.04    -0.02   0.02   0.02    -0.03   0.01   0.11
    18   1    -0.00  -0.02  -0.04    -0.02  -0.04   0.03    -0.00   0.00  -0.17
    19   1     0.00  -0.04  -0.01    -0.02   0.03   0.00     0.08   0.01  -0.10
    20   1     0.00  -0.04  -0.03    -0.03   0.04  -0.01     0.09  -0.01  -0.07
    21   1     0.07  -0.09  -0.04     0.17  -0.26  -0.11     0.15   0.24  -0.12
    22   1     0.02  -0.05  -0.06    -0.31   0.03   0.06     0.31   0.12  -0.00
    23   1     0.08  -0.05   0.03     0.21   0.30   0.03     0.15   0.04  -0.01
    24   1    -0.14   0.19   0.08     0.17  -0.34  -0.09    -0.19   0.06   0.15
    25   1     0.02   0.06   0.16    -0.02   0.38  -0.25     0.05  -0.02   0.26
    26   1    -0.09   0.06  -0.06    -0.24   0.07   0.42    -0.00   0.01   0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    307.1169               336.7965               390.9425
 Red. masses --      2.3115                 1.8960                 2.2632
 Frc consts  --      0.1285                 0.1267                 0.2038
 IR Inten    --      0.8534                 1.1205                 0.1308
 RamAct Fr= 1--      1.1392                 0.2113                 1.1476
  Dep-P Fr= 1--      0.6914                 0.5950                 0.7435
  Dep-U Fr= 1--      0.8175                 0.7461                 0.8529
 Alpha2 Fr= 1--      0.0012                 0.0006                 0.0001
 Beta2  Fr= 1--      0.1552                 0.0263                 0.1631
 AlphaG Fr= 1--      0.0151                -0.0093                 0.0000
 Gamma2 Fr= 1--      0.0517                -0.0293                -0.6966
 Delta2 Fr= 1--      0.0359                -0.0077                -0.0096
 Raman1 Fr= 1--       4.557                  0.845                  4.590
 ROA1   Fr= 1--       6.108                 -3.061                -67.184
 CID1   Fr= 1--       1.340                 -3.621                -14.636
 Raman2 Fr= 1--       1.863                  0.315                  1.957
 ROA2   Fr= 1--       0.952                 -0.642                -16.642
 CID2   Fr= 1--       0.511                 -2.036                 -8.502
 Raman3 Fr= 1--       3.725                  0.631                  3.915
 ROA3   Fr= 1--       6.108                 -3.061                -67.184
 CID3   Fr= 1--       1.640                 -4.854                -17.161
 RC180  Fr= 1--       0.635                  0.492                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.09    -0.05  -0.11   0.13    -0.03   0.01   0.07
     2   6     0.03  -0.09   0.05     0.08   0.06  -0.12    -0.07  -0.01  -0.04
     3   6     0.03  -0.06  -0.11    -0.03  -0.05   0.01     0.08   0.06  -0.04
     4   6     0.16   0.05   0.11     0.06   0.04   0.01    -0.02  -0.06  -0.04
     5   6    -0.02  -0.01  -0.08    -0.02   0.03  -0.04     0.11   0.01  -0.06
     6   6    -0.02  -0.01  -0.02     0.00   0.01   0.01     0.10  -0.10   0.01
     7   6    -0.02  -0.01   0.04    -0.01   0.03   0.03    -0.05  -0.12   0.05
     8   6    -0.08   0.06   0.00    -0.07   0.05   0.00    -0.06  -0.01   0.01
     9   1     0.03  -0.10  -0.08    -0.08  -0.20   0.25    -0.10   0.02   0.21
    10   1    -0.00  -0.04   0.15     0.26  -0.14  -0.47    -0.09  -0.08  -0.20
    11   1     0.09  -0.22   0.09     0.11   0.47  -0.20    -0.06   0.15  -0.07
    12   1     0.00   0.25   0.24     0.05   0.20  -0.08     0.06  -0.19  -0.07
    13   1     0.40  -0.02   0.19     0.03   0.02   0.01    -0.09  -0.12  -0.04
    14   1     0.24   0.05   0.17     0.24   0.03   0.09    -0.15  -0.00  -0.01
    15   1    -0.08   0.03  -0.15    -0.06   0.04  -0.07     0.19   0.04  -0.11
    16   6    -0.07   0.10   0.00    -0.01  -0.04  -0.00    -0.03   0.05   0.07
    17   6    -0.05   0.00   0.02     0.02  -0.03   0.01     0.03   0.12  -0.03
    18   1     0.00   0.02   0.12    -0.00   0.04   0.08    -0.13  -0.23   0.15
    19   1    -0.11   0.08   0.04    -0.09   0.04   0.02    -0.05  -0.07   0.01
    20   1    -0.11   0.09  -0.02    -0.10   0.07  -0.02    -0.15   0.11   0.00
    21   1    -0.18   0.33   0.07     0.03  -0.16  -0.00    -0.13   0.22   0.16
    22   1     0.14   0.10   0.10    -0.14  -0.04  -0.03     0.03   0.07   0.25
    23   1    -0.21  -0.01  -0.12     0.04   0.04   0.02    -0.16   0.09  -0.14
    24   1    -0.13   0.08   0.04     0.03  -0.09  -0.01     0.04   0.32   0.01
    25   1    -0.02  -0.05   0.11    -0.01  -0.03  -0.03     0.13   0.23   0.04
    26   1    -0.02  -0.01  -0.06     0.06  -0.02   0.06    -0.20   0.11  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    397.1011               430.4228               467.2026
 Red. masses --      2.4370                 2.2223                 2.9458
 Frc consts  --      0.2264                 0.2426                 0.3788
 IR Inten    --      0.2618                 1.0229                 0.1932
 RamAct Fr= 1--      1.5913                 0.8280                 2.5649
  Dep-P Fr= 1--      0.1392                 0.6881                 0.3779
  Dep-U Fr= 1--      0.2444                 0.8152                 0.5485
 Alpha2 Fr= 1--      0.0253                 0.0009                 0.0205
 Beta2  Fr= 1--      0.0648                 0.1125                 0.2345
 AlphaG Fr= 1--      0.0300                -0.0031                 0.0091
 Gamma2 Fr= 1--     -0.0726                -0.1672                -0.0595
 Delta2 Fr= 1--     -0.0010                 0.0581                -0.1708
 Raman1 Fr= 1--       6.365                  3.312                 10.259
 ROA1   Fr= 1--      -6.997                -14.188                -11.179
 CID1   Fr= 1--      -1.099                 -4.284                 -1.090
 Raman2 Fr= 1--       0.778                  1.350                  2.814
 ROA2   Fr= 1--      -1.733                 -4.476                 -0.062
 CID2   Fr= 1--      -2.228                 -3.316                 -0.022
 Raman3 Fr= 1--       1.556                  2.700                  5.627
 ROA3   Fr= 1--      -6.997                -14.188                -11.179
 CID3   Fr= 1--      -4.498                 -5.255                 -1.987
 RC180  Fr= 1--      -0.511                  0.630                  0.097
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.05   0.04    -0.01   0.02  -0.08    -0.13  -0.05  -0.08
     2   6     0.04   0.01   0.00    -0.04   0.02  -0.07    -0.06   0.03  -0.01
     3   6     0.07   0.07  -0.00    -0.00  -0.06   0.06    -0.09  -0.03  -0.12
     4   6    -0.01  -0.02  -0.02     0.03  -0.04  -0.01    -0.05   0.04   0.00
     5   6     0.08   0.06  -0.05     0.01   0.00  -0.01    -0.05  -0.05  -0.07
     6   6     0.01  -0.01  -0.06    -0.05  -0.07  -0.02     0.12   0.03   0.08
     7   6     0.05   0.01  -0.05    -0.07  -0.05   0.04     0.03   0.01  -0.03
     8   6     0.03   0.03  -0.05     0.17   0.13   0.09     0.12   0.04  -0.03
     9   1     0.04   0.04   0.10    -0.00   0.10  -0.16    -0.12  -0.13  -0.05
    10   1     0.02   0.03   0.02    -0.09  -0.06  -0.27    -0.02   0.05   0.07
    11   1    -0.01  -0.01  -0.01     0.09   0.19  -0.07    -0.07  -0.06   0.01
    12   1     0.05  -0.13  -0.04     0.05  -0.03  -0.05    -0.12   0.15   0.06
    13   1    -0.06  -0.06  -0.02    -0.02   0.03  -0.04     0.07  -0.02   0.05
    14   1    -0.11   0.01  -0.01     0.09  -0.07  -0.05    -0.02   0.06   0.05
    15   1     0.16   0.07  -0.08     0.02   0.07  -0.13    -0.15  -0.05  -0.05
    16   6    -0.17  -0.06  -0.06     0.02   0.03  -0.01    -0.08  -0.07   0.12
    17   6    -0.07  -0.08   0.19    -0.10  -0.04   0.04     0.18   0.06   0.09
    18   1     0.06   0.03  -0.05    -0.09  -0.08   0.01    -0.03  -0.07  -0.09
    19   1    -0.01  -0.04   0.01     0.37   0.26  -0.17     0.21   0.24  -0.20
    20   1    -0.02   0.05  -0.11     0.31   0.22   0.43     0.29  -0.02   0.18
    21   1    -0.25  -0.11   0.15     0.04   0.10  -0.09    -0.16  -0.17   0.37
    22   1    -0.25  -0.06  -0.12     0.06   0.04   0.11    -0.20  -0.08   0.01
    23   1    -0.28  -0.07  -0.20     0.05   0.07  -0.01    -0.19  -0.09  -0.03
    24   1    -0.34  -0.19   0.21    -0.12  -0.01   0.04     0.23   0.07   0.08
    25   1     0.06  -0.04   0.37    -0.05   0.00   0.08     0.15   0.04   0.06
    26   1    -0.02  -0.06   0.34    -0.15  -0.04   0.03     0.19   0.05   0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    489.6757               578.3572               629.1329
 Red. masses --      3.7393                 3.0073                 3.6147
 Frc consts  --      0.5283                 0.5927                 0.8430
 IR Inten    --      0.4536                 1.4831                 0.8058
 RamAct Fr= 1--      2.1210                 4.9599                 3.1264
  Dep-P Fr= 1--      0.5060                 0.1537                 0.5458
  Dep-U Fr= 1--      0.6720                 0.2665                 0.7061
 Alpha2 Fr= 1--      0.0102                 0.0760                 0.0122
 Beta2  Fr= 1--      0.2375                 0.2203                 0.3679
 AlphaG Fr= 1--     -0.0168                -0.0640                 0.0158
 Gamma2 Fr= 1--      0.5848                -1.0466                 1.0982
 Delta2 Fr= 1--      0.1664                -0.6892                 0.9075
 Raman1 Fr= 1--       8.484                 19.839                 12.505
 ROA1   Fr= 1--      61.465               -122.528                134.466
 CID1   Fr= 1--       7.245                 -6.176                 10.753
 Raman2 Fr= 1--       2.850                  2.643                  4.415
 ROA2   Fr= 1--      12.704                -19.605                 19.097
 CID2   Fr= 1--       4.457                 -7.416                  4.325
 Raman3 Fr= 1--       5.701                  5.287                  8.831
 ROA3   Fr= 1--      61.465               -122.528                134.466
 CID3   Fr= 1--      10.782                -23.175                 15.227
 RC180  Fr= 1--       0.344                 -0.467                  0.412
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.03    -0.02   0.02  -0.09     0.13   0.01   0.00
     2   6    -0.15  -0.06  -0.07    -0.01   0.02   0.00     0.07  -0.16  -0.09
     3   6     0.16  -0.07   0.03    -0.11  -0.14   0.24    -0.06  -0.03   0.17
     4   6     0.18  -0.18  -0.02    -0.02  -0.01   0.02    -0.07   0.07   0.03
     5   6     0.05   0.10   0.10     0.02  -0.02  -0.02     0.00   0.13  -0.06
     6   6    -0.02   0.16   0.05     0.12  -0.01  -0.09    -0.03  -0.05   0.06
     7   6    -0.18   0.09  -0.10    -0.01  -0.01   0.05     0.01  -0.05  -0.13
     8   6    -0.06   0.05  -0.01    -0.08   0.02   0.01    -0.04   0.11  -0.17
     9   1    -0.13   0.17   0.03     0.05   0.09  -0.26     0.12   0.03   0.01
    10   1    -0.09  -0.01   0.08    -0.09   0.07   0.08    -0.02  -0.03   0.14
    11   1    -0.18  -0.19  -0.06     0.05  -0.10   0.04    -0.06  -0.39  -0.08
    12   1     0.22  -0.25  -0.04     0.03   0.09  -0.13    -0.04   0.15  -0.08
    13   1     0.14  -0.17  -0.03    -0.21   0.26  -0.09    -0.20   0.25  -0.05
    14   1     0.15  -0.18  -0.03     0.29  -0.17  -0.10     0.16  -0.04  -0.05
    15   1    -0.12   0.09   0.12     0.02  -0.00  -0.05     0.10   0.16  -0.11
    16   6    -0.02  -0.05   0.02    -0.01   0.03  -0.15     0.02  -0.05   0.22
    17   6     0.07   0.05   0.03     0.14   0.06   0.05    -0.03  -0.01  -0.02
    18   1    -0.16   0.11  -0.11    -0.08  -0.11   0.16     0.08   0.06   0.01
    19   1     0.05  -0.14  -0.06    -0.17  -0.07   0.14     0.04   0.02  -0.23
    20   1    -0.11   0.15   0.02    -0.20   0.07  -0.12    -0.06   0.21  -0.10
    21   1     0.03  -0.24   0.07    -0.08   0.02   0.00     0.02  -0.05   0.22
    22   1    -0.08  -0.08  -0.28    -0.10   0.04  -0.10     0.02  -0.05   0.24
    23   1     0.03  -0.16   0.17    -0.10   0.10  -0.33     0.02  -0.06   0.22
    24   1     0.10   0.01   0.02    -0.01   0.01   0.07     0.11   0.09  -0.02
    25   1     0.02   0.02  -0.02     0.24   0.11   0.15    -0.08   0.01  -0.10
    26   1     0.13   0.06   0.07     0.12   0.06   0.11    -0.13  -0.02  -0.13
                     16                     17                     18
                      A                      A                      A
 Frequencies --    677.5980               784.1203               809.7346
 Red. masses --      3.2757                 2.5695                 1.2012
 Frc consts  --      0.8861                 0.9308                 0.4640
 IR Inten    --      0.0523                 3.0092                13.7459
 RamAct Fr= 1--     15.8128                 5.9811                 0.6921
  Dep-P Fr= 1--      0.0141                 0.1371                 0.6445
  Dep-U Fr= 1--      0.0279                 0.2411                 0.7838
 Alpha2 Fr= 1--      0.3400                 0.0955                 0.0013
 Beta2  Fr= 1--      0.0735                 0.2403                 0.0904
 AlphaG Fr= 1--      0.0865                 0.0492                -0.0509
 Gamma2 Fr= 1--      0.6290                 2.0069                -2.3358
 Delta2 Fr= 1--      0.1999                -0.1187                -1.1620
 Raman1 Fr= 1--      63.251                 23.924                  2.768
 ROA1   Fr= 1--      66.775                188.866               -261.422
 CID1   Fr= 1--       1.056                  7.894                -94.434
 Raman2 Fr= 1--       0.882                  2.884                  1.085
 ROA2   Fr= 1--      13.496                 49.115                -46.763
 CID2   Fr= 1--      15.308                 17.031                -43.104
 Raman3 Fr= 1--       1.763                  5.768                  2.170
 ROA3   Fr= 1--      66.775                188.866               -261.422
 CID3   Fr= 1--      37.871                 32.746               -120.482
 RC180  Fr= 1--      -0.944                 -0.518                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.04  -0.04    -0.07  -0.06  -0.09     0.05   0.05  -0.05
     2   6    -0.03   0.25   0.07     0.01  -0.06  -0.07     0.02   0.04  -0.04
     3   6    -0.01  -0.07   0.06    -0.02  -0.04  -0.03     0.00   0.01   0.00
     4   6     0.11  -0.13  -0.00    -0.10   0.07   0.00     0.00  -0.01   0.02
     5   6     0.03  -0.04  -0.13     0.19   0.06  -0.01    -0.02  -0.02  -0.01
     6   6     0.01  -0.08   0.01    -0.01   0.02   0.01    -0.01   0.02   0.01
     7   6     0.09   0.12  -0.03    -0.01   0.08  -0.02    -0.02  -0.03   0.03
     8   6    -0.00   0.00  -0.02     0.07  -0.05   0.21    -0.01  -0.03  -0.00
     9   1    -0.10  -0.02   0.01    -0.17  -0.18   0.17    -0.23  -0.36   0.74
    10   1     0.01   0.32   0.24     0.07  -0.02   0.06    -0.16   0.16   0.13
    11   1    -0.06   0.06   0.10     0.09  -0.18  -0.02     0.10  -0.20   0.03
    12   1     0.16  -0.13  -0.08    -0.12   0.15  -0.02     0.05   0.02  -0.09
    13   1     0.01  -0.02  -0.05    -0.10   0.10  -0.01    -0.08   0.11  -0.04
    14   1     0.21  -0.18  -0.06    -0.04   0.05  -0.01     0.13  -0.08  -0.05
    15   1     0.06   0.03  -0.26     0.22   0.20  -0.27    -0.03  -0.04   0.03
    16   6     0.02  -0.04   0.15    -0.00   0.00   0.03    -0.01   0.01  -0.03
    17   6    -0.10  -0.05  -0.05    -0.02  -0.00  -0.02    -0.00   0.01   0.01
    18   1     0.03   0.03  -0.19     0.05   0.15  -0.20    -0.05  -0.06   0.09
    19   1    -0.20   0.01   0.19    -0.01  -0.43   0.41     0.08   0.06  -0.12
    20   1    -0.09  -0.09  -0.29    -0.19   0.05  -0.11     0.08  -0.04   0.14
    21   1     0.00   0.04   0.13     0.01  -0.02   0.01     0.00   0.00  -0.04
    22   1     0.03  -0.03   0.31     0.02  -0.01  -0.03     0.01   0.01  -0.06
    23   1     0.01   0.03   0.07     0.02  -0.04   0.08     0.01  -0.01   0.01
    24   1    -0.04  -0.01  -0.05    -0.07  -0.01  -0.01     0.02  -0.01  -0.00
    25   1    -0.12  -0.05  -0.09    -0.00   0.01  -0.00    -0.04  -0.03  -0.02
    26   1    -0.15  -0.06  -0.11    -0.04   0.00   0.00     0.05   0.01   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    829.6739               853.3449               900.6156
 Red. masses --      2.3046                 2.5309                 2.4746
 Frc consts  --      0.9347                 1.0859                 1.1826
 IR Inten    --      0.1607                 0.7871                 3.2586
 RamAct Fr= 1--      3.9403                 7.7281                 2.0398
  Dep-P Fr= 1--      0.7430                 0.4243                 0.6064
  Dep-U Fr= 1--      0.8525                 0.5958                 0.7549
 Alpha2 Fr= 1--      0.0005                 0.0524                 0.0054
 Beta2  Fr= 1--      0.5599                 0.7674                 0.2567
 AlphaG Fr= 1--     -0.0097                 0.0556                 0.0268
 Gamma2 Fr= 1--     -0.4662                -0.4162                -1.9634
 Delta2 Fr= 1--      0.4714                 0.1164                -0.3991
 Raman1 Fr= 1--      15.761                 30.912                  8.159
 ROA1   Fr= 1--     -29.669                -36.231               -201.259
 CID1   Fr= 1--      -1.882                 -1.172                -24.667
 Raman2 Fr= 1--       6.719                  9.209                  3.080
 ROA2   Fr= 1--     -14.960                -10.920                -43.929
 CID2   Fr= 1--      -2.227                 -1.186                -14.263
 Raman3 Fr= 1--      13.437                 18.419                  6.160
 ROA3   Fr= 1--     -29.669                -36.231               -201.259
 CID3   Fr= 1--      -2.208                 -1.967                -32.674
 RC180  Fr= 1--       0.705                  0.192                  0.510
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05  -0.01    -0.05   0.04   0.01    -0.13   0.00  -0.11
     2   6    -0.06  -0.07   0.00    -0.03  -0.09  -0.13    -0.02  -0.07   0.02
     3   6     0.00   0.01   0.04     0.04   0.04   0.00     0.00  -0.01  -0.01
     4   6     0.02  -0.01   0.01     0.02   0.00   0.01     0.00  -0.01  -0.00
     5   6     0.03  -0.04  -0.14    -0.08  -0.09   0.08     0.00   0.10   0.15
     6   6    -0.08   0.14   0.04     0.03  -0.07  -0.01     0.07   0.01  -0.03
     7   6     0.13  -0.13   0.09     0.18   0.02  -0.08     0.07   0.01   0.11
     8   6     0.04  -0.01  -0.01    -0.06   0.13   0.13     0.09   0.05  -0.15
     9   1    -0.06   0.15  -0.04    -0.18   0.11   0.20    -0.30  -0.03   0.22
    10   1    -0.22  -0.14  -0.24    -0.06   0.00   0.05    -0.03  -0.15  -0.17
    11   1    -0.04   0.13  -0.03    -0.23  -0.26  -0.15     0.20   0.10   0.05
    12   1     0.09  -0.10  -0.04     0.09  -0.12  -0.02    -0.01   0.03  -0.01
    13   1    -0.09   0.03  -0.03    -0.05  -0.01  -0.01     0.02   0.00  -0.00
    14   1    -0.00  -0.03  -0.04    -0.09   0.02  -0.02     0.03  -0.02  -0.00
    15   1     0.06  -0.02  -0.19    -0.11  -0.11   0.12    -0.09  -0.02   0.39
    16   6    -0.03   0.04   0.02     0.01  -0.01  -0.03     0.03  -0.01   0.02
    17   6    -0.02   0.05   0.01     0.01  -0.01  -0.00    -0.06  -0.04  -0.06
    18   1     0.17  -0.09   0.08     0.28   0.15  -0.19     0.05  -0.01   0.31
    19   1    -0.17   0.13   0.18    -0.28   0.45   0.28    -0.10  -0.10   0.09
    20   1    -0.06   0.01  -0.16    -0.07   0.08   0.07     0.02  -0.08  -0.43
    21   1     0.05  -0.09  -0.03    -0.02   0.04  -0.02    -0.02  -0.01   0.13
    22   1     0.03   0.00  -0.28    -0.00   0.00   0.10    -0.03  -0.00   0.08
    23   1     0.05  -0.15   0.28    -0.02   0.06  -0.12    -0.02   0.03  -0.08
    24   1     0.06  -0.13  -0.03    -0.01   0.01   0.00    -0.26  -0.08  -0.04
    25   1    -0.24  -0.23  -0.11     0.05   0.03   0.03     0.07   0.04   0.08
    26   1     0.37   0.05   0.07    -0.06  -0.02  -0.02    -0.12  -0.03   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    922.5495               942.0762               955.2480
 Red. masses --      2.1860                 1.8985                 1.5453
 Frc consts  --      1.0962                 0.9927                 0.8308
 IR Inten    --      0.5143                 1.5823                 0.3783
 RamAct Fr= 1--      4.5879                 1.5416                 4.3200
  Dep-P Fr= 1--      0.1718                 0.7492                 0.6170
  Dep-U Fr= 1--      0.2932                 0.8566                 0.7632
 Alpha2 Fr= 1--      0.0671                 0.0000                 0.0105
 Beta2  Fr= 1--      0.2242                 0.2201                 0.5495
 AlphaG Fr= 1--     -0.0133                 0.0007                -0.0133
 Gamma2 Fr= 1--      0.7791                 1.8851                -0.5702
 Delta2 Fr= 1--      0.6331                 0.2597                 0.4895
 Raman1 Fr= 1--      18.352                  6.167                 17.280
 ROA1   Fr= 1--      95.048                189.282                -39.072
 CID1   Fr= 1--       5.179                 30.695                 -2.261
 Raman2 Fr= 1--       2.690                  2.641                  6.594
 ROA2   Fr= 1--      13.633                 43.165                -17.600
 CID2   Fr= 1--       5.067                 16.343                 -2.669
 Raman3 Fr= 1--       5.381                  5.282                 13.188
 ROA3   Fr= 1--      95.048                189.282                -39.072
 CID3   Fr= 1--      17.664                 35.833                 -2.963
 RC180  Fr= 1--      -0.414                  0.713                  0.526
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.05   0.00    -0.10   0.03  -0.01     0.00  -0.01   0.03
     2   6    -0.06  -0.04   0.02     0.06  -0.10  -0.03    -0.01   0.01  -0.04
     3   6    -0.03   0.02  -0.00     0.05   0.04   0.05    -0.01   0.00  -0.00
     4   6     0.03  -0.06  -0.02     0.04   0.04   0.04    -0.00  -0.02  -0.01
     5   6    -0.14   0.17  -0.02    -0.05  -0.00  -0.09    -0.03   0.06  -0.01
     6   6    -0.06  -0.08   0.02    -0.01  -0.02  -0.01     0.08   0.03   0.06
     7   6     0.03  -0.01   0.00    -0.05   0.12   0.06     0.03  -0.02   0.02
     8   6     0.08  -0.06   0.04    -0.01  -0.09  -0.01     0.01  -0.03   0.03
     9   1     0.01   0.00   0.16    -0.20   0.30  -0.02     0.04   0.06  -0.08
    10   1    -0.19  -0.10  -0.20     0.25  -0.11   0.05    -0.05   0.07   0.07
    11   1    -0.06   0.15  -0.02     0.24  -0.10   0.03    -0.10  -0.12  -0.04
    12   1    -0.07   0.13   0.02     0.25  -0.31  -0.07    -0.04   0.06   0.02
    13   1     0.18  -0.04   0.02    -0.24   0.05  -0.04     0.07  -0.02   0.01
    14   1     0.19  -0.08   0.04    -0.18   0.04  -0.09     0.05  -0.02   0.02
    15   1    -0.15   0.28  -0.24    -0.03   0.04  -0.19    -0.06   0.08  -0.06
    16   6    -0.02  -0.04  -0.05     0.01  -0.03  -0.01     0.09   0.05  -0.06
    17   6     0.09   0.02   0.05     0.01   0.01   0.02    -0.10  -0.05   0.03
    18   1     0.12   0.10  -0.19     0.04   0.24   0.19    -0.01  -0.06   0.10
    19   1    -0.06  -0.14   0.22     0.11   0.03  -0.18     0.04  -0.07   0.00
    20   1     0.07  -0.30  -0.24     0.20  -0.27   0.11     0.03  -0.06   0.04
    21   1    -0.02   0.13  -0.19    -0.03   0.06   0.01    -0.08  -0.14   0.46
    22   1     0.03  -0.00   0.23    -0.01  -0.00   0.17    -0.22   0.03  -0.28
    23   1     0.02   0.11  -0.11    -0.02   0.08  -0.13    -0.17   0.00  -0.40
    24   1     0.20   0.12   0.06     0.10   0.02   0.01     0.26   0.10  -0.00
    25   1     0.08   0.08  -0.01    -0.04  -0.02  -0.04    -0.30  -0.10  -0.24
    26   1    -0.02   0.01  -0.04     0.04   0.00  -0.01    -0.13  -0.07  -0.21
                     25                     26                     27
                      A                      A                      A
 Frequencies --    975.4039               976.4729              1023.2539
 Red. masses --      1.5663                 2.1247                 1.3869
 Frc consts  --      0.8780                 1.1936                 0.8556
 IR Inten    --      1.4656                 2.7724                 0.4239
 RamAct Fr= 1--      4.1224                 2.9882                 1.7966
  Dep-P Fr= 1--      0.4306                 0.7277                 0.6459
  Dep-U Fr= 1--      0.6020                 0.8424                 0.7849
 Alpha2 Fr= 1--      0.0273                 0.0011                 0.0034
 Beta2  Fr= 1--      0.4136                 0.4195                 0.2350
 AlphaG Fr= 1--     -0.0144                 0.0053                -0.0254
 Gamma2 Fr= 1--      1.2930                -0.0988                 0.1143
 Delta2 Fr= 1--      0.5752                -1.1109                -0.2430
 Raman1 Fr= 1--      16.490                 11.953                  7.187
 ROA1   Fr= 1--     142.533                -45.038                  3.195
 CID1   Fr= 1--       8.644                 -3.768                  0.445
 Raman2 Fr= 1--       4.963                  5.034                  2.820
 ROA2   Fr= 1--      26.430                  6.516                  4.687
 CID2   Fr= 1--       5.325                  1.294                  1.662
 Raman3 Fr= 1--       9.926                 10.069                  5.640
 ROA3   Fr= 1--     142.533                -45.038                  3.195
 CID3   Fr= 1--      14.359                 -4.473                  0.567
 RC180  Fr= 1--       0.204                  0.685                  0.570
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.02  -0.07    -0.12  -0.02  -0.03     0.04  -0.02  -0.02
     2   6    -0.03  -0.05   0.12     0.06   0.04   0.01    -0.03  -0.00   0.02
     3   6     0.02  -0.01   0.02    -0.00  -0.01  -0.01     0.02  -0.02   0.01
     4   6    -0.01   0.03   0.03     0.01   0.00  -0.00    -0.00   0.03  -0.01
     5   6     0.01  -0.07  -0.02     0.07   0.02   0.06     0.02  -0.04   0.03
     6   6     0.00  -0.00  -0.00    -0.09  -0.08   0.11    -0.02  -0.00  -0.00
     7   6    -0.06   0.04  -0.05     0.04  -0.04  -0.01    -0.03   0.02  -0.02
     8   6    -0.00   0.03  -0.00    -0.00   0.06  -0.08     0.02   0.04  -0.02
     9   1    -0.02  -0.13   0.20    -0.10  -0.03  -0.06     0.03  -0.11   0.07
    10   1     0.04  -0.24  -0.28     0.15   0.07   0.12     0.01  -0.03  -0.04
    11   1     0.18   0.37   0.09     0.11  -0.06   0.04    -0.01   0.07   0.01
    12   1     0.08  -0.09  -0.04     0.03  -0.06  -0.00     0.01  -0.04   0.03
    13   1    -0.15   0.08  -0.02    -0.03  -0.02  -0.01    -0.02  -0.04   0.01
    14   1    -0.07   0.01  -0.05    -0.05   0.02  -0.01    -0.12   0.08   0.01
    15   1    -0.02  -0.11   0.05     0.19   0.01   0.08     0.03  -0.07   0.07
    16   6     0.03   0.03   0.01    -0.07   0.02  -0.11     0.04  -0.09  -0.02
    17   6     0.01  -0.05   0.03     0.03  -0.02   0.12    -0.04   0.09   0.04
    18   1     0.00   0.12  -0.34     0.06  -0.02   0.01    -0.06  -0.03  -0.08
    19   1    -0.13   0.16   0.10     0.01  -0.04  -0.07    -0.01  -0.09   0.05
    20   1    -0.05   0.00  -0.12    -0.11   0.19  -0.10    -0.11   0.16  -0.11
    21   1    -0.01  -0.12   0.22     0.04   0.08  -0.38    -0.08   0.17   0.03
    22   1    -0.09   0.01  -0.22     0.08   0.01  -0.09    -0.04  -0.02   0.43
    23   1    -0.06  -0.07  -0.04     0.06  -0.01   0.09    -0.03   0.20  -0.35
    24   1     0.19   0.18   0.05     0.54   0.29   0.10     0.16  -0.14  -0.04
    25   1     0.02   0.11  -0.07    -0.15   0.03  -0.19    -0.34  -0.27  -0.15
    26   1    -0.26  -0.06  -0.16    -0.17  -0.06  -0.23     0.42   0.08   0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1037.8759              1061.1462              1066.4346
 Red. masses --      1.4686                 2.2427                 1.5612
 Frc consts  --      0.9321                 1.4879                 1.0461
 IR Inten    --      4.0711                 1.1779                 0.4633
 RamAct Fr= 1--      3.4841                 6.0088                 0.9773
  Dep-P Fr= 1--      0.1726                 0.2086                 0.5371
  Dep-U Fr= 1--      0.2943                 0.3452                 0.6988
 Alpha2 Fr= 1--      0.0508                 0.0798                 0.0040
 Beta2  Fr= 1--      0.1709                 0.3457                 0.1138
 AlphaG Fr= 1--      0.0651                 0.0562                -0.0542
 Gamma2 Fr= 1--      0.4866                 0.6887                -1.1343
 Delta2 Fr= 1--      0.2215                -0.2549                 0.0685
 Raman1 Fr= 1--      13.936                 24.035                  3.909
 ROA1   Fr= 1--      53.807                 57.954               -106.698
 CID1   Fr= 1--       3.861                  2.411                -27.295
 Raman2 Fr= 1--       2.051                  4.148                  1.366
 ROA2   Fr= 1--       9.907                 18.567                -27.771
 CID2   Fr= 1--       4.830                  4.476                -20.332
 Raman3 Fr= 1--       4.102                  8.297                  2.732
 ROA3   Fr= 1--      53.807                 57.954               -106.698
 CID3   Fr= 1--      13.117                  6.985                -39.059
 RC180  Fr= 1--      -0.411                 -0.310                  0.398
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.06  -0.00     0.11  -0.05   0.06     0.01  -0.06   0.02
     2   6    -0.01  -0.05   0.02    -0.10   0.01  -0.11    -0.04   0.01   0.00
     3   6    -0.02   0.02  -0.01     0.03  -0.04   0.01     0.06   0.03  -0.12
     4   6    -0.06  -0.10  -0.04    -0.04   0.04  -0.02    -0.05  -0.02   0.14
     5   6     0.09  -0.03  -0.01     0.04  -0.11  -0.03     0.02   0.03   0.01
     6   6    -0.01  -0.00  -0.00    -0.01  -0.01   0.00     0.01   0.01   0.03
     7   6     0.01   0.07   0.01    -0.04   0.15   0.12     0.01   0.01   0.01
     8   6    -0.06  -0.03  -0.01     0.07   0.04  -0.05    -0.00  -0.01  -0.00
     9   1    -0.10   0.20   0.07     0.14  -0.03  -0.02     0.14  -0.04  -0.23
    10   1     0.07  -0.11  -0.08    -0.36   0.11   0.00    -0.08   0.00  -0.04
    11   1     0.01   0.10  -0.00    -0.21  -0.15  -0.10    -0.10   0.03  -0.02
    12   1    -0.29   0.39   0.02    -0.09   0.06   0.06     0.15   0.05  -0.26
    13   1     0.27   0.02   0.02     0.04  -0.05   0.02    -0.42   0.51  -0.09
    14   1     0.37  -0.16   0.09    -0.10   0.09   0.05     0.32  -0.31  -0.23
    15   1     0.37  -0.10   0.14     0.03  -0.14   0.01    -0.07  -0.03   0.12
    16   6     0.01  -0.02  -0.01    -0.03   0.00  -0.01    -0.01  -0.02  -0.02
    17   6    -0.01   0.01   0.01     0.01  -0.04   0.04    -0.01  -0.00  -0.00
    18   1     0.12   0.22   0.01    -0.02   0.20   0.44     0.02   0.02  -0.04
    19   1     0.01   0.22  -0.17    -0.09   0.05   0.12    -0.03   0.08  -0.01
    20   1     0.08  -0.04   0.21     0.10  -0.24  -0.34     0.04  -0.05   0.02
    21   1    -0.01   0.03   0.00     0.02   0.02  -0.13    -0.01   0.07  -0.08
    22   1    -0.00  -0.00   0.07     0.05  -0.00  -0.01     0.02  -0.01   0.10
    23   1    -0.00   0.04  -0.06     0.04  -0.02   0.11     0.01   0.05  -0.05
    24   1     0.05  -0.01  -0.00     0.16   0.14   0.05    -0.01  -0.01  -0.00
    25   1    -0.07  -0.05  -0.03     0.00   0.07  -0.05    -0.02  -0.02  -0.01
    26   1     0.05   0.01  -0.01    -0.18  -0.05  -0.11    -0.01  -0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1086.6866              1111.3851              1129.0156
 Red. masses --      1.4705                 1.4141                 1.4185
 Frc consts  --      1.0231                 1.0291                 1.0653
 IR Inten    --      1.6984                 2.6691                 2.1166
 RamAct Fr= 1--      1.1682                 6.7205                 0.3832
  Dep-P Fr= 1--      0.4373                 0.3886                 0.6743
  Dep-U Fr= 1--      0.6085                 0.5597                 0.8055
 Alpha2 Fr= 1--      0.0075                 0.0518                 0.0005
 Beta2  Fr= 1--      0.1185                 0.6269                 0.0514
 AlphaG Fr= 1--      0.0189                -0.0585                -0.0014
 Gamma2 Fr= 1--     -0.8287                 1.0972                -0.1970
 Delta2 Fr= 1--     -1.0001                 0.9143                 0.1851
 Raman1 Fr= 1--       4.673                 26.882                  1.533
 ROA1   Fr= 1--    -111.561                134.590                -12.991
 CID1   Fr= 1--     -23.874                  5.007                 -8.474
 Raman2 Fr= 1--       1.422                  7.522                  0.617
 ROA2   Fr= 1--     -11.889                 19.019                 -6.209
 CID2   Fr= 1--      -8.363                  2.528                -10.057
 Raman3 Fr= 1--       2.843                 15.045                  1.235
 ROA3   Fr= 1--    -111.561                134.590                -12.991
 CID3   Fr= 1--     -39.237                  8.946                -10.521
 RC180  Fr= 1--       0.217                  0.119                  0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.07     0.01  -0.07  -0.02    -0.02  -0.01   0.04
     2   6     0.06  -0.00  -0.05    -0.04   0.02  -0.02     0.03   0.02  -0.03
     3   6     0.03   0.04  -0.02     0.03  -0.05   0.04    -0.03   0.00   0.01
     4   6    -0.04  -0.04   0.00     0.00   0.05  -0.02     0.02   0.00  -0.02
     5   6    -0.05  -0.05  -0.01     0.04   0.11  -0.01     0.03   0.03  -0.08
     6   6    -0.01  -0.02  -0.03     0.03  -0.00   0.03    -0.05   0.07   0.01
     7   6    -0.10  -0.03   0.00     0.00  -0.01   0.01    -0.03  -0.04   0.06
     8   6     0.09   0.04   0.01    -0.04  -0.04  -0.00     0.03  -0.05  -0.01
     9   1    -0.10   0.34   0.01     0.03  -0.08  -0.05     0.04  -0.00  -0.08
    10   1     0.17   0.06   0.16     0.02   0.02   0.03    -0.32   0.11   0.01
    11   1     0.41  -0.20   0.09     0.12  -0.05   0.04     0.21  -0.14   0.05
    12   1    -0.10   0.17  -0.03    -0.01  -0.05   0.06     0.01  -0.04   0.03
    13   1     0.07   0.08  -0.00    -0.01  -0.08   0.01     0.04  -0.07   0.01
    14   1     0.19  -0.10   0.01    -0.16   0.12   0.03    -0.04   0.04   0.02
    15   1    -0.02  -0.08   0.05     0.22   0.03   0.16    -0.17  -0.20   0.39
    16   6    -0.00   0.01   0.02    -0.02  -0.00  -0.02     0.03  -0.04  -0.01
    17   6     0.01   0.02   0.01    -0.02   0.01  -0.01     0.03  -0.04  -0.01
    18   1    -0.28  -0.28  -0.20    -0.14  -0.22  -0.28     0.22   0.28  -0.34
    19   1    -0.20   0.12   0.29    -0.25   0.59   0.04    -0.05   0.08   0.03
    20   1    -0.04  -0.05  -0.31     0.25  -0.40   0.06    -0.16   0.30   0.09
    21   1     0.01  -0.04   0.04     0.01   0.03  -0.08    -0.05   0.08   0.07
    22   1     0.00   0.00  -0.06     0.03  -0.00   0.01    -0.05  -0.01   0.18
    23   1    -0.01  -0.04   0.05     0.02   0.01   0.03    -0.02   0.10  -0.18
    24   1     0.05  -0.01  -0.00    -0.03  -0.05  -0.02    -0.05   0.09   0.03
    25   1    -0.04  -0.03  -0.02    -0.04  -0.05   0.01     0.14   0.12   0.04
    26   1     0.07   0.02  -0.01     0.03   0.01   0.01    -0.16  -0.03  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1152.6812              1193.6617              1213.7031
 Red. masses --      1.5978                 1.6600                 1.7645
 Frc consts  --      1.2508                 1.3935                 1.5314
 IR Inten    --      3.7470                 1.4320                 1.8796
 RamAct Fr= 1--      7.1765                 8.5035                 4.8408
  Dep-P Fr= 1--      0.6137                 0.7232                 0.6536
  Dep-U Fr= 1--      0.7606                 0.8394                 0.7905
 Alpha2 Fr= 1--      0.0180                 0.0039                 0.0084
 Beta2  Fr= 1--      0.9098                 1.1896                 0.6378
 AlphaG Fr= 1--     -0.0024                -0.0215                 0.0044
 Gamma2 Fr= 1--     -1.0855                 1.4041                -0.3057
 Delta2 Fr= 1--      0.5668                 0.4279                 0.0897
 Raman1 Fr= 1--      28.706                 34.014                 19.363
 ROA1   Fr= 1--     -86.076                148.491                -26.474
 CID1   Fr= 1--      -2.999                  4.366                 -1.367
 Raman2 Fr= 1--      10.917                 14.275                  7.654
 ROA2   Fr= 1--     -30.587                 30.276                 -8.053
 CID2   Fr= 1--      -2.802                  2.121                 -1.052
 Raman3 Fr= 1--      21.835                 28.550                 15.307
 ROA3   Fr= 1--     -86.076                148.491                -26.474
 CID3   Fr= 1--      -3.942                  5.201                 -1.730
 RC180  Fr= 1--       0.521                  0.679                  0.581
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.02    -0.02  -0.05   0.02    -0.01   0.00   0.02
     2   6     0.03  -0.00  -0.03    -0.02   0.06   0.01    -0.01  -0.01  -0.01
     3   6    -0.10   0.06  -0.04     0.15  -0.07   0.01    -0.03   0.01   0.01
     4   6     0.06  -0.03   0.02    -0.07   0.03  -0.01     0.01  -0.00  -0.00
     5   6     0.00  -0.01   0.07    -0.01  -0.03   0.07    -0.00   0.05  -0.05
     6   6    -0.08  -0.05  -0.07    -0.03  -0.05  -0.00     0.14  -0.13  -0.07
     7   6    -0.04  -0.01   0.01     0.03  -0.02   0.02    -0.01   0.03   0.02
     8   6    -0.00   0.03  -0.01    -0.06   0.02  -0.05    -0.02   0.01   0.03
     9   1     0.16  -0.31  -0.14    -0.12   0.24   0.03     0.06  -0.08  -0.05
    10   1    -0.29   0.06  -0.04    -0.37   0.11  -0.07    -0.22   0.01  -0.07
    11   1     0.11  -0.09   0.02     0.35  -0.03   0.13     0.16  -0.02   0.04
    12   1     0.17  -0.18  -0.05    -0.16   0.19   0.03     0.03  -0.04   0.01
    13   1    -0.02  -0.02  -0.00    -0.03   0.07  -0.01     0.01  -0.03   0.00
    14   1     0.02  -0.05  -0.05    -0.06   0.05   0.03     0.00   0.00   0.00
    15   1     0.59   0.08  -0.08    -0.13   0.22  -0.42    -0.25  -0.17   0.39
    16   6     0.05   0.03   0.03     0.02   0.02   0.00    -0.07   0.06   0.02
    17   6     0.03   0.04   0.00     0.01   0.02  -0.01    -0.05   0.06   0.04
    18   1     0.11   0.20  -0.01     0.22   0.23  -0.24     0.14   0.24  -0.21
    19   1    -0.05   0.06   0.03     0.08  -0.07  -0.18     0.13  -0.22  -0.06
    20   1     0.10  -0.18  -0.09     0.04  -0.04   0.04    -0.00   0.00   0.05
    21   1    -0.01  -0.10   0.25     0.00  -0.06   0.10     0.09  -0.14  -0.15
    22   1    -0.10   0.01  -0.13    -0.05   0.01  -0.10     0.13   0.01  -0.18
    23   1    -0.07  -0.07  -0.08    -0.04  -0.04  -0.05     0.04  -0.13   0.29
    24   1     0.02  -0.03  -0.01    -0.03  -0.05  -0.02     0.14  -0.13  -0.04
    25   1     0.03  -0.01   0.04     0.03  -0.02   0.05    -0.25  -0.18  -0.10
    26   1     0.15   0.04   0.05     0.10   0.03   0.06     0.21   0.03  -0.06
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1234.4480              1242.7799              1253.3456
 Red. masses --      1.7740                 2.5212                 1.7032
 Frc consts  --      1.5928                 2.2943                 1.5764
 IR Inten    --      3.0845                 1.3219                 4.5013
 RamAct Fr= 1--      3.3964                 1.4638                 5.1314
  Dep-P Fr= 1--      0.7365                 0.3398                 0.1941
  Dep-U Fr= 1--      0.8483                 0.5072                 0.3251
 Alpha2 Fr= 1--      0.0008                 0.0133                 0.0708
 Beta2  Fr= 1--      0.4802                 0.1237                 0.2780
 AlphaG Fr= 1--     -0.0016                -0.0251                 0.0524
 Gamma2 Fr= 1--     -0.2150                -1.3022                 1.1567
 Delta2 Fr= 1--      0.5107                -0.3572                -0.8275
 Raman1 Fr= 1--      13.586                  5.855                 20.526
 ROA1   Fr= 1--      -4.301               -136.445                 84.563
 CID1   Fr= 1--      -0.317                -23.304                  4.120
 Raman2 Fr= 1--       5.762                  1.485                  3.336
 ROA2   Fr= 1--      -9.246                -28.395                 34.381
 CID2   Fr= 1--      -1.605                -19.124                 10.305
 Raman3 Fr= 1--      11.524                  2.970                  6.673
 ROA3   Fr= 1--      -4.301               -136.445                 84.563
 CID3   Fr= 1--      -0.373                -45.947                 12.673
 RC180  Fr= 1--       0.697                  0.014                 -0.350
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.04     0.05   0.01   0.03     0.00  -0.03   0.01
     2   6    -0.04   0.03  -0.02    -0.05  -0.05  -0.03    -0.04  -0.01  -0.00
     3   6     0.06  -0.03   0.00    -0.10   0.03  -0.01     0.01   0.01  -0.01
     4   6    -0.02   0.02   0.01     0.03  -0.01   0.01     0.01   0.00   0.01
     5   6    -0.05   0.05  -0.01    -0.05  -0.06   0.02    -0.07   0.02   0.06
     6   6    -0.09  -0.13  -0.01     0.13  -0.02   0.25     0.04   0.04  -0.13
     7   6    -0.00   0.02   0.09    -0.02   0.07   0.05     0.06   0.07  -0.03
     8   6     0.06  -0.08  -0.04     0.04  -0.02  -0.08     0.03  -0.13  -0.01
     9   1    -0.05   0.05   0.06     0.04   0.02   0.02     0.01  -0.01  -0.02
    10   1     0.46   0.00   0.18     0.00  -0.05   0.00    -0.23   0.00  -0.09
    11   1    -0.39   0.04  -0.12     0.20  -0.02   0.04     0.28  -0.01   0.09
    12   1    -0.02   0.04  -0.00     0.09  -0.11  -0.01     0.02  -0.01  -0.01
    13   1    -0.05   0.05  -0.01     0.02  -0.06   0.01    -0.01   0.01   0.00
    14   1    -0.03   0.02  -0.00     0.02  -0.02  -0.02    -0.01   0.00  -0.01
    15   1     0.11  -0.05   0.18     0.31   0.13  -0.34     0.23   0.14  -0.16
    16   6     0.04   0.06   0.01    -0.04   0.02  -0.07    -0.03  -0.01   0.03
    17   6     0.03   0.04  -0.01    -0.03   0.00  -0.08    -0.01  -0.02   0.05
    18   1     0.08   0.14  -0.03    -0.01   0.06  -0.38    -0.14  -0.20   0.20
    19   1    -0.09   0.17   0.05    -0.00  -0.01  -0.04    -0.12   0.24   0.04
    20   1    -0.21   0.38   0.06    -0.17   0.35  -0.00    -0.27   0.52   0.24
    21   1     0.03  -0.14   0.17     0.03   0.05  -0.24     0.01  -0.02  -0.03
    22   1    -0.10   0.03  -0.23     0.07   0.00  -0.15     0.08  -0.01   0.09
    23   1    -0.09  -0.14  -0.02     0.01   0.07  -0.06     0.05  -0.01   0.14
    24   1    -0.02  -0.07  -0.02    -0.29  -0.15  -0.07     0.17   0.07   0.03
    25   1     0.07  -0.03   0.09     0.04  -0.09   0.11    -0.08   0.04  -0.10
    26   1     0.15   0.05   0.10    -0.02   0.02   0.14    -0.05  -0.04  -0.14
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1281.4980              1298.6113              1340.7720
 Red. masses --      1.4709                 1.9056                 1.6557
 Frc consts  --      1.4232                 1.8934                 1.7536
 IR Inten    --      0.2336                 2.6780                 1.1064
 RamAct Fr= 1--      0.2855                 7.1359                 6.4636
  Dep-P Fr= 1--      0.4496                 0.5048                 0.6868
  Dep-U Fr= 1--      0.6203                 0.6709                 0.8143
 Alpha2 Fr= 1--      0.0018                 0.0344                 0.0072
 Beta2  Fr= 1--      0.0295                 0.7979                 0.8772
 AlphaG Fr= 1--     -0.0019                 0.0182                -0.0035
 Gamma2 Fr= 1--      0.2845                 1.2704                -0.2919
 Delta2 Fr= 1--      0.1664                 0.2486                -0.9895
 Raman1 Fr= 1--       1.142                 28.544                 25.854
 ROA1   Fr= 1--      32.634                129.912                -59.691
 CID1   Fr= 1--      28.573                  4.551                 -2.309
 Raman2 Fr= 1--       0.354                  9.575                 10.527
 ROA2   Fr= 1--       5.496                 28.501                  0.910
 CID2   Fr= 1--      15.514                  2.977                  0.086
 Raman3 Fr= 1--       0.708                 19.151                 21.054
 ROA3   Fr= 1--      32.634                129.912                -59.691
 CID3   Fr= 1--      46.063                  6.784                 -2.835
 RC180  Fr= 1--       0.241                  0.342                  0.629
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.06   0.00    -0.00  -0.02   0.02     0.00  -0.04  -0.02
     2   6     0.05  -0.01   0.01    -0.01  -0.00   0.03     0.12   0.04   0.06
     3   6     0.03   0.03   0.03     0.01  -0.01   0.00     0.01  -0.07  -0.03
     4   6    -0.02  -0.02  -0.02    -0.00   0.01  -0.00     0.01   0.02   0.01
     5   6     0.05  -0.01   0.04     0.01   0.03  -0.07    -0.07   0.02  -0.02
     6   6     0.04  -0.03   0.03    -0.09  -0.10   0.12     0.08   0.03   0.02
     7   6    -0.09  -0.04  -0.06     0.05   0.07  -0.16    -0.09  -0.06  -0.06
     8   6     0.05  -0.06  -0.02     0.02  -0.01   0.04     0.04  -0.00   0.02
     9   1     0.17  -0.39  -0.13    -0.02   0.07  -0.01    -0.26   0.44   0.13
    10   1    -0.01   0.01   0.01    -0.33   0.01  -0.13    -0.32   0.09  -0.07
    11   1    -0.08   0.02  -0.03     0.37   0.05   0.13    -0.35   0.09  -0.08
    12   1    -0.06   0.06   0.01    -0.01  -0.00   0.01    -0.00   0.02   0.01
    13   1     0.07   0.01   0.00    -0.02  -0.01  -0.00    -0.10  -0.00  -0.01
    14   1     0.05  -0.00   0.05    -0.01   0.01   0.00    -0.08   0.02  -0.05
    15   1    -0.42   0.14  -0.26    -0.06  -0.16   0.30     0.43  -0.03   0.11
    16   6    -0.01   0.00  -0.01     0.03   0.03  -0.03    -0.02  -0.01   0.01
    17   6    -0.02   0.02  -0.01     0.03   0.04  -0.04    -0.02   0.00  -0.00
    18   1     0.14   0.30   0.27    -0.15  -0.17   0.56     0.14   0.28   0.18
    19   1    -0.24   0.43   0.15     0.02   0.02   0.04    -0.09   0.07   0.14
    20   1    -0.04   0.05  -0.04    -0.05   0.06   0.00    -0.01   0.00  -0.05
    21   1     0.01   0.00  -0.05     0.01  -0.03   0.06     0.02   0.04  -0.11
    22   1     0.03  -0.00  -0.03    -0.11   0.02  -0.11     0.06  -0.02  -0.03
    23   1     0.01   0.01   0.00    -0.08  -0.07  -0.11     0.02   0.06   0.00
    24   1    -0.02  -0.06  -0.02    -0.15  -0.09  -0.03    -0.02  -0.03  -0.01
    25   1    -0.04  -0.06   0.01     0.06  -0.09   0.11    -0.03  -0.01  -0.02
    26   1     0.05   0.02   0.01     0.02   0.05   0.14     0.00  -0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1361.5675              1372.1529              1402.8340
 Red. masses --      1.8975                 1.6416                 1.2610
 Frc consts  --      2.0726                 1.8211                 1.4621
 IR Inten    --      2.8217                 1.3475                 9.2935
 RamAct Fr= 1--      8.8557                 2.1865                 0.1818
  Dep-P Fr= 1--      0.2561                 0.7401                 0.4176
  Dep-U Fr= 1--      0.4078                 0.8507                 0.5891
 Alpha2 Fr= 1--      0.1032                 0.0004                 0.0013
 Beta2  Fr= 1--      0.6019                 0.3100                 0.0179
 AlphaG Fr= 1--      0.0733                -0.0020                -0.0032
 Gamma2 Fr= 1--      1.7593                -0.7228                 0.1279
 Delta2 Fr= 1--      0.9820                -0.5481                -0.0133
 Raman1 Fr= 1--      35.423                  8.746                  0.727
 ROA1   Fr= 1--     200.314                -86.926                 11.854
 CID1   Fr= 1--       5.655                 -9.939                 16.300
 Raman2 Fr= 1--       7.223                  3.720                  0.214
 ROA2   Fr= 1--      34.366                -12.961                  3.177
 CID2   Fr= 1--       4.758                 -3.484                 14.829
 Raman3 Fr= 1--      14.445                  7.440                  0.428
 ROA3   Fr= 1--     200.314                -86.926                 11.854
 CID3   Fr= 1--      13.867                -11.684                 27.668
 RC180  Fr= 1--      -0.184                  0.701                  0.178
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.02    -0.08   0.03  -0.02     0.00  -0.00  -0.00
     2   6    -0.07   0.02  -0.01     0.14  -0.06   0.02    -0.00   0.01   0.00
     3   6     0.16   0.03   0.08     0.09   0.02   0.04     0.00  -0.00   0.00
     4   6    -0.04  -0.01  -0.02    -0.01  -0.03  -0.02    -0.01   0.01   0.00
     5   6    -0.15  -0.01  -0.07    -0.03  -0.01  -0.02    -0.01  -0.00  -0.01
     6   6     0.04   0.05   0.02    -0.02  -0.02   0.02     0.02   0.00   0.03
     7   6    -0.00  -0.05  -0.03     0.01   0.09   0.05    -0.01  -0.01  -0.01
     8   6     0.01   0.04   0.04    -0.00  -0.00  -0.01     0.00   0.00   0.01
     9   1     0.21  -0.48  -0.16     0.07  -0.26  -0.10    -0.01   0.02   0.00
    10   1     0.23  -0.03   0.04    -0.44  -0.01  -0.16     0.01  -0.01  -0.02
    11   1     0.23  -0.05   0.08    -0.43   0.01  -0.16     0.02  -0.01   0.01
    12   1    -0.10   0.10   0.01    -0.09   0.13   0.02     0.02  -0.04  -0.01
    13   1     0.08   0.11  -0.02     0.01   0.11  -0.04     0.03  -0.03   0.02
    14   1     0.02   0.05   0.13    -0.04   0.05   0.10     0.04  -0.02  -0.02
    15   1     0.49  -0.12   0.16     0.05  -0.03   0.02     0.04  -0.01   0.00
    16   6    -0.01  -0.02   0.01     0.00   0.01  -0.02    -0.01   0.02  -0.11
    17   6     0.00  -0.02  -0.01     0.01   0.00  -0.01    -0.08  -0.03  -0.03
    18   1     0.16   0.17   0.13    -0.32  -0.37  -0.32     0.03   0.04   0.03
    19   1     0.09  -0.22   0.02     0.07  -0.03  -0.09     0.03   0.02  -0.02
    20   1    -0.00  -0.03  -0.05    -0.06   0.05  -0.05    -0.04  -0.00  -0.07
    21   1     0.01   0.04  -0.08    -0.01  -0.03   0.05    -0.15  -0.14   0.36
    22   1     0.04  -0.01  -0.01    -0.02   0.02   0.03     0.00   0.07   0.42
    23   1     0.01   0.07  -0.04     0.01  -0.05   0.04     0.18  -0.20   0.37
    24   1    -0.04   0.03   0.01    -0.02  -0.01  -0.01     0.30   0.17  -0.04
    25   1     0.02   0.04  -0.02     0.02  -0.03   0.03     0.22   0.21   0.21
    26   1    -0.03  -0.01  -0.00    -0.03   0.01   0.04     0.35  -0.01   0.14
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1413.4226              1421.7239              1477.6208
 Red. masses --      1.2997                 1.2194                 1.0453
 Frc consts  --      1.5298                 1.4522                 1.3447
 IR Inten    --      2.8448                 6.8577                 7.7361
 RamAct Fr= 1--      8.9908                 0.2704                 7.0797
  Dep-P Fr= 1--      0.3738                 0.1127                 0.7226
  Dep-U Fr= 1--      0.5442                 0.2026                 0.8390
 Alpha2 Fr= 1--      0.0729                 0.0046                 0.0033
 Beta2  Fr= 1--      0.8155                 0.0091                 0.9900
 AlphaG Fr= 1--     -0.0053                -0.0035                -0.0390
 Gamma2 Fr= 1--      0.3715                 0.0198                 0.1464
 Delta2 Fr= 1--      0.2501                 0.0002                 0.0478
 Raman1 Fr= 1--      35.963                  1.082                 28.319
 ROA1   Fr= 1--      43.672                  1.910                 15.580
 CID1   Fr= 1--       1.214                  1.766                  0.550
 Raman2 Fr= 1--       9.786                  0.110                 11.880
 ROA2   Fr= 1--       6.916                  0.474                  3.131
 CID2   Fr= 1--       0.707                  4.329                  0.264
 Raman3 Fr= 1--      19.572                  0.219                 23.759
 ROA3   Fr= 1--      43.672                  1.910                 15.580
 CID3   Fr= 1--       2.231                  8.715                  0.656
 RC180  Fr= 1--       0.088                 -0.595                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.02  -0.00   0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
     3   6     0.04  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.01  -0.02
     4   6    -0.12   0.10   0.00     0.00  -0.00  -0.00     0.02   0.02  -0.05
     5   6    -0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.01
     6   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.01   0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.01     0.00   0.00   0.00
     9   1    -0.01  -0.02  -0.01     0.00  -0.01  -0.00    -0.00   0.00   0.01
    10   1    -0.06   0.01  -0.02    -0.04   0.00   0.00     0.01  -0.01  -0.02
    11   1    -0.06   0.01  -0.02    -0.00   0.02  -0.01    -0.01  -0.02   0.00
    12   1     0.21  -0.45  -0.12    -0.01  -0.00   0.01    -0.22  -0.30   0.61
    13   1     0.36  -0.40   0.22    -0.01  -0.00  -0.00    -0.46  -0.02  -0.14
    14   1     0.53  -0.21  -0.18     0.00   0.00   0.01     0.44   0.02   0.25
    15   1     0.01  -0.00   0.01    -0.04  -0.01   0.02     0.00   0.01  -0.01
    16   6    -0.00  -0.00   0.01     0.00  -0.02   0.09    -0.00   0.00  -0.00
    17   6     0.01   0.00   0.00    -0.09  -0.04  -0.03     0.00   0.00   0.00
    18   1    -0.02  -0.03  -0.02    -0.04  -0.05  -0.00     0.00   0.00   0.00
    19   1     0.01   0.00  -0.01     0.05   0.04  -0.06     0.00  -0.00  -0.00
    20   1    -0.01   0.00  -0.01    -0.05  -0.00  -0.07    -0.00   0.00  -0.00
    21   1     0.01   0.00  -0.03     0.12   0.11  -0.29    -0.00  -0.01   0.01
    22   1     0.01  -0.01  -0.04     0.03  -0.07  -0.35     0.01   0.00   0.01
    23   1    -0.02   0.03  -0.04    -0.13   0.20  -0.30     0.00   0.01  -0.00
    24   1    -0.02  -0.01   0.00     0.36   0.20  -0.04    -0.01   0.00   0.00
    25   1    -0.02  -0.02  -0.01     0.26   0.29   0.22    -0.01  -0.00  -0.01
    26   1    -0.03   0.00  -0.01     0.43  -0.02   0.12    -0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1479.4212              1483.9079              1488.2273
 Red. masses --      1.0845                 1.0540                 1.0597
 Frc consts  --      1.3985                 1.3674                 1.3828
 IR Inten    --      3.6327                 3.4684                 4.3720
 RamAct Fr= 1--     25.5346                 1.3060                12.7441
  Dep-P Fr= 1--      0.5681                 0.6154                 0.5060
  Dep-U Fr= 1--      0.7246                 0.7620                 0.6720
 Alpha2 Fr= 1--      0.0877                 0.0032                 0.0612
 Beta2  Fr= 1--      3.0838                 0.1658                 1.4274
 AlphaG Fr= 1--      0.0570                -0.0056                -0.0436
 Gamma2 Fr= 1--     -6.8278                 1.2993                 4.4518
 Delta2 Fr= 1--     -5.1405                 0.4123                 3.0411
 Raman1 Fr= 1--     102.138                  5.224                 50.976
 ROA1   Fr= 1--    -819.969                137.928                524.687
 CID1   Fr= 1--      -8.028                 26.403                 10.293
 Raman2 Fr= 1--      37.005                  1.990                 17.128
 ROA2   Fr= 1--    -122.744                 27.886                 82.514
 CID2   Fr= 1--      -3.317                 14.011                  4.817
 Raman3 Fr= 1--      74.010                  3.980                 34.257
 ROA3   Fr= 1--    -819.969                137.928                524.687
 CID3   Fr= 1--     -11.079                 34.652                 15.316
 RC180  Fr= 1--       0.449                  0.524                  0.344
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.00  -0.01  -0.00     0.01  -0.03  -0.01
     2   6     0.00  -0.07  -0.03    -0.01   0.00  -0.00     0.00   0.01   0.01
     3   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.04  -0.02  -0.02
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.02    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.01  -0.02    -0.00  -0.01   0.02     0.00  -0.00  -0.01
     9   1     0.02  -0.04  -0.01    -0.01   0.01   0.00    -0.05   0.08   0.02
    10   1    -0.14   0.25   0.55     0.01   0.01   0.03    -0.01  -0.01  -0.05
    11   1     0.10   0.61  -0.11     0.01   0.02  -0.00    -0.03  -0.04   0.01
    12   1    -0.02  -0.00   0.03     0.01  -0.01  -0.01     0.19  -0.36  -0.13
    13   1    -0.03  -0.02  -0.00     0.01   0.03  -0.00     0.31   0.53  -0.05
    14   1     0.02  -0.01  -0.01    -0.01   0.01   0.02     0.06   0.25   0.54
    15   1     0.01  -0.00   0.01    -0.01   0.00   0.01    -0.03   0.01  -0.01
    16   6     0.01  -0.01  -0.01    -0.03  -0.03  -0.01     0.01  -0.01  -0.00
    17   6    -0.01   0.00   0.01     0.01   0.02  -0.03    -0.01   0.01   0.01
    18   1    -0.00  -0.02  -0.01     0.01  -0.00   0.01     0.01   0.01   0.01
    19   1    -0.07  -0.09   0.10     0.09   0.08  -0.12    -0.02  -0.01   0.02
    20   1     0.08  -0.00   0.12    -0.09  -0.01  -0.14     0.02   0.00   0.03
    21   1    -0.11   0.20   0.07    -0.18   0.03   0.30    -0.04   0.11  -0.00
    22   1    -0.13  -0.01  -0.09     0.34  -0.06  -0.23    -0.09  -0.00  -0.04
    23   1     0.11   0.04   0.12     0.28   0.46   0.06     0.03  -0.01   0.04
    24   1     0.02  -0.13  -0.03     0.24  -0.01  -0.06     0.03  -0.14  -0.03
    25   1     0.05   0.08   0.04     0.01  -0.35   0.25     0.05   0.05   0.05
    26   1     0.04  -0.02  -0.16    -0.27   0.04   0.20     0.02  -0.01  -0.14
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1493.6754              1500.4946              1514.7652
 Red. masses --      1.0496                 1.0785                 1.0686
 Frc consts  --      1.3798                 1.4307                 1.4446
 IR Inten    --      6.3682                 0.4811                 8.2523
 RamAct Fr= 1--      3.7015                 8.2876                 4.8621
  Dep-P Fr= 1--      0.6668                 0.6650                 0.7314
  Dep-U Fr= 1--      0.8001                 0.7988                 0.8449
 Alpha2 Fr= 1--      0.0055                 0.0125                 0.0015
 Beta2  Fr= 1--      0.4936                 1.1033                 0.6846
 AlphaG Fr= 1--     -0.0125                 0.0061                -0.0008
 Gamma2 Fr= 1--      0.4684                -0.7794                 0.0651
 Delta2 Fr= 1--      0.4857                 0.2472                -0.4615
 Raman1 Fr= 1--      14.806                 33.151                 19.448
 ROA1   Fr= 1--      60.512                -66.913                 -8.519
 CID1   Fr= 1--       4.087                 -2.018                 -0.438
 Raman2 Fr= 1--       5.923                 13.240                  8.216
 ROA2   Fr= 1--       7.357                -20.684                  5.254
 CID2   Fr= 1--       1.242                 -1.562                  0.639
 Raman3 Fr= 1--      11.846                 26.480                 16.431
 ROA3   Fr= 1--      60.512                -66.913                 -8.519
 CID3   Fr= 1--       5.108                 -2.527                 -0.518
 RC180  Fr= 1--       0.600                  0.598                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
     2   6     0.00  -0.02  -0.01     0.01   0.01   0.01     0.00  -0.00  -0.00
     3   6    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.01  -0.00  -0.00
     4   6    -0.01  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.01  -0.01
     6   6     0.01  -0.00  -0.01    -0.03  -0.03   0.02    -0.01   0.02  -0.00
     7   6    -0.00  -0.01  -0.00    -0.00   0.02  -0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.01     0.00   0.01  -0.04     0.00   0.02  -0.05
     9   1    -0.01   0.02   0.01     0.00  -0.01  -0.00     0.01  -0.01  -0.00
    10   1    -0.06   0.11   0.22     0.00  -0.04  -0.10    -0.01   0.01   0.01
    11   1     0.03   0.25  -0.05    -0.03  -0.10   0.01    -0.00   0.02  -0.01
    12   1     0.05  -0.10  -0.04    -0.00   0.02  -0.01     0.00  -0.01  -0.00
    13   1     0.08   0.15  -0.02     0.00  -0.01   0.00     0.01   0.02  -0.00
    14   1     0.01   0.07   0.15    -0.01  -0.00  -0.01     0.00   0.01   0.02
    15   1    -0.01   0.01   0.00    -0.02  -0.02   0.01     0.01  -0.01  -0.01
    16   6    -0.02   0.02   0.00    -0.03  -0.01  -0.01    -0.01   0.02   0.01
    17   6     0.02  -0.03  -0.02     0.00  -0.02   0.02    -0.02   0.02  -0.02
    18   1     0.01   0.01   0.00    -0.03  -0.02   0.00    -0.01  -0.01   0.00
    19   1     0.01   0.04  -0.02    -0.19  -0.17   0.24    -0.25  -0.24   0.32
    20   1    -0.02  -0.01  -0.03     0.18   0.02   0.29     0.24   0.01   0.37
    21   1     0.11  -0.28  -0.03    -0.09  -0.14   0.25     0.16  -0.29  -0.10
    22   1     0.21   0.01   0.11     0.39  -0.04  -0.14     0.15   0.02   0.17
    23   1    -0.10  -0.02  -0.11     0.17   0.36  -0.03    -0.18  -0.09  -0.16
    24   1    -0.17   0.50   0.12    -0.24   0.02   0.05     0.34  -0.08  -0.09
    25   1    -0.19  -0.08  -0.26     0.00   0.31  -0.23     0.10  -0.24   0.32
    26   1     0.04   0.04   0.46     0.27  -0.03  -0.15    -0.21   0.02   0.07
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1518.9781              1722.3592              3000.3474
 Red. masses --      1.0613                 6.5420                 1.0596
 Frc consts  --      1.4428                11.4342                 5.6199
 IR Inten    --      4.6538                 1.7235                45.9987
 RamAct Fr= 1--      4.4948                42.6578               186.6533
  Dep-P Fr= 1--      0.6152                 0.1272                 0.1481
  Dep-U Fr= 1--      0.7617                 0.2257                 0.2580
 Alpha2 Fr= 1--      0.0111                 0.6983                 2.8992
 Beta2  Fr= 1--      0.5706                 1.6050                 8.0268
 AlphaG Fr= 1--     -0.0110                 0.1312                 0.2626
 Gamma2 Fr= 1--     -0.7339                -0.5383                -2.8388
 Delta2 Fr= 1--      0.1648                -0.4250                -1.2742
 Raman1 Fr= 1--      17.979                170.631                746.613
 ROA1   Fr= 1--     -65.179                -65.280               -313.300
 CID1   Fr= 1--      -3.625                 -0.383                 -0.420
 Raman2 Fr= 1--       6.848                 19.260                 96.322
 ROA2   Fr= 1--     -18.932                 -9.520                -57.938
 CID2   Fr= 1--      -2.765                 -0.494                 -0.602
 Raman3 Fr= 1--      13.695                 38.520                192.644
 ROA3   Fr= 1--     -65.179                -65.280               -313.300
 CID3   Fr= 1--      -4.759                 -1.695                 -1.626
 RC180  Fr= 1--       0.523                 -0.549                 -0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.05  -0.43  -0.19     0.00  -0.00   0.00
     2   6     0.00   0.01   0.01    -0.00   0.04   0.02     0.01  -0.06  -0.04
     3   6     0.00   0.00   0.00    -0.01   0.47   0.22     0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.03  -0.05  -0.02     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.01  -0.05  -0.02     0.00  -0.00  -0.00
     6   6     0.02  -0.02  -0.01    -0.00   0.00   0.01    -0.00   0.00  -0.00
     7   6    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.01  -0.00
     8   6     0.00   0.01  -0.04     0.00   0.01  -0.00     0.00   0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.36   0.23  -0.02    -0.03  -0.01  -0.02
    10   1     0.02  -0.06  -0.13    -0.17   0.10   0.07     0.14   0.54  -0.27
    11   1    -0.03  -0.14   0.02    -0.13   0.15  -0.04    -0.21   0.12   0.73
    12   1    -0.01   0.01   0.01    -0.09   0.17   0.05    -0.00  -0.00  -0.00
    13   1    -0.01  -0.02   0.00     0.05  -0.21   0.04    -0.00   0.00   0.00
    14   1     0.01  -0.01  -0.02     0.11  -0.13  -0.13     0.00   0.00  -0.00
    15   1    -0.01  -0.00   0.00    -0.27  -0.01  -0.11    -0.00   0.01   0.00
    16   6     0.02  -0.03   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.01  -0.02    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.01   0.01  -0.01     0.03   0.04   0.03     0.09  -0.07   0.00
    19   1    -0.17  -0.15   0.22    -0.02  -0.04   0.03     0.00  -0.00   0.00
    20   1     0.15   0.02   0.25     0.03  -0.00   0.03    -0.00  -0.00   0.00
    21   1    -0.16   0.46  -0.00     0.02  -0.01  -0.03    -0.02  -0.01  -0.01
    22   1    -0.37  -0.02  -0.19    -0.00   0.00  -0.00     0.00   0.02  -0.00
    23   1     0.14  -0.03   0.21    -0.02  -0.01  -0.02     0.02  -0.01  -0.01
    24   1     0.04   0.34   0.05     0.00  -0.01  -0.00     0.00   0.00  -0.00
    25   1    -0.10  -0.15  -0.06     0.01   0.01   0.01     0.00   0.00  -0.00
    26   1    -0.01   0.04   0.37     0.00  -0.00  -0.01    -0.00   0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3008.6110              3017.9762              3021.8101
 Red. masses --      1.0378                 1.1009                 1.0401
 Frc consts  --      5.5349                 5.9080                 5.5957
 IR Inten    --     31.9145                24.2602                17.0159
 RamAct Fr= 1--    226.2968               122.1268                15.7825
  Dep-P Fr= 1--      0.0400                 0.6794                 0.3939
  Dep-U Fr= 1--      0.0769                 0.8091                 0.5652
 Alpha2 Fr= 1--      4.5776                 0.1521                 0.1195
 Beta2  Fr= 1--      2.9008                16.4692                 1.4867
 AlphaG Fr= 1--     -0.1007                 0.4355                 0.0052
 Gamma2 Fr= 1--     -0.9186                 7.8720                -0.9650
 Delta2 Fr= 1--      1.8567                -1.4150                 0.7600
 Raman1 Fr= 1--     905.187                488.507                 63.130
 ROA1   Fr= 1--     -28.772                710.431                -68.320
 CID1   Fr= 1--      -0.032                  1.454                 -1.082
 Raman2 Fr= 1--      34.810                197.630                 17.840
 ROA2   Fr= 1--     -36.900                200.247                -29.240
 CID2   Fr= 1--      -1.060                  1.013                 -1.639
 Raman3 Fr= 1--      69.619                395.260                 35.681
 ROA3   Fr= 1--     -28.772                710.431                -68.320
 CID3   Fr= 1--      -0.413                  1.797                 -1.915
 RC180  Fr= 1--      -0.846                  0.618                  0.130
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.03  -0.05   0.07    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.02  -0.05  -0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     8   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.16   0.69  -0.30     0.00   0.01  -0.00
    11   1     0.00  -0.00  -0.00     0.17  -0.12  -0.59     0.01  -0.01  -0.04
    12   1    -0.30  -0.14  -0.18     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1    -0.15   0.12   0.60     0.00  -0.00  -0.00    -0.00   0.00   0.01
    14   1     0.19   0.57  -0.30     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00  -0.04  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.02  -0.02   0.03
    17   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.01
    18   1    -0.00   0.00   0.00     0.02  -0.01  -0.00    -0.01   0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.01
    20   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
    21   1     0.00   0.00   0.00     0.02   0.01   0.01    -0.21  -0.08  -0.08
    22   1    -0.00  -0.01   0.00    -0.00  -0.02   0.00     0.02   0.53  -0.05
    23   1    -0.00   0.00   0.00    -0.03   0.02   0.02     0.40  -0.22  -0.26
    24   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.05  -0.21
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.31   0.16   0.22
    26   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00  -0.40   0.05
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3028.4016              3047.1656              3053.5525
 Red. masses --      1.0401                 1.0989                 1.0846
 Frc consts  --      5.6204                 6.0119                 5.9583
 IR Inten    --     61.0392                20.3318                62.6711
 RamAct Fr= 1--    285.9632                85.8503               161.4975
  Dep-P Fr= 1--      0.0308                 0.7432                 0.2786
  Dep-U Fr= 1--      0.0597                 0.8527                 0.4357
 Alpha2 Fr= 1--      5.9123                 0.0100                 1.7644
 Beta2  Fr= 1--      2.8440                12.2001                11.7287
 AlphaG Fr= 1--      0.1786                -0.1596                 0.3919
 Gamma2 Fr= 1--      3.7862                -2.7477                 9.2148
 Delta2 Fr= 1--      1.0107                -2.8521                 5.0174
 Raman1 Fr= 1--    1143.853                343.401                645.990
 ROA1   Fr= 1--     395.821               -355.046               1045.173
 CID1   Fr= 1--       0.346                 -1.034                  1.618
 Raman2 Fr= 1--      34.128                146.401                140.744
 ROA2   Fr= 1--      82.785                -43.128                181.016
 CID2   Fr= 1--       2.426                 -0.295                  1.286
 Raman3 Fr= 1--      68.256                292.802                281.488
 ROA3   Fr= 1--     395.821               -355.046               1045.173
 CID3   Fr= 1--       5.799                 -1.213                  3.713
 RC180  Fr= 1--      -0.881                  0.705                 -0.129
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.03   0.04  -0.08    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.07   0.05  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.01
     9   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.01   0.00   0.01
    10   1     0.00   0.02  -0.01     0.00   0.00  -0.00    -0.02  -0.08   0.04
    11   1     0.01  -0.01  -0.03     0.00  -0.00  -0.00     0.02  -0.01  -0.08
    12   1    -0.00  -0.00  -0.00    -0.01   0.00  -0.03     0.00   0.00   0.00
    13   1    -0.00   0.00   0.01    -0.16   0.17   0.68    -0.00   0.00   0.00
    14   1     0.00   0.00  -0.00    -0.19  -0.60   0.29     0.00   0.01  -0.00
    15   1    -0.00  -0.05  -0.02     0.00  -0.01  -0.00    -0.00  -0.01  -0.01
    16   6    -0.01  -0.02   0.03     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.04  -0.02   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.07   0.05  -0.00     0.00  -0.00   0.00     0.78  -0.56   0.02
    19   1    -0.02  -0.01  -0.02    -0.00  -0.00  -0.00    -0.11  -0.03  -0.09
    20   1     0.02   0.02  -0.01     0.00   0.00  -0.00     0.11   0.08  -0.06
    21   1    -0.16  -0.06  -0.07     0.01   0.00   0.00    -0.02  -0.01  -0.01
    22   1     0.02   0.41  -0.04     0.00   0.01  -0.00     0.00   0.03  -0.00
    23   1     0.31  -0.17  -0.20    -0.02   0.01   0.01     0.03  -0.02  -0.02
    24   1     0.03  -0.06   0.28    -0.00   0.00  -0.00     0.01  -0.01   0.03
    25   1     0.40  -0.21  -0.28    -0.00   0.00   0.00     0.00   0.00  -0.00
    26   1    -0.00   0.50  -0.06    -0.00  -0.00   0.00     0.00   0.06  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3064.3729              3069.4316              3074.6471
 Red. masses --      1.0818                 1.1008                 1.0691
 Frc consts  --      5.9850                 6.1105                 5.9546
 IR Inten    --     46.0989                 1.7060                32.9305
 RamAct Fr= 1--     70.8815                23.4408               234.0631
  Dep-P Fr= 1--      0.5483                 0.7499                 0.0171
  Dep-U Fr= 1--      0.7083                 0.8571                 0.0335
 Alpha2 Fr= 1--      0.2736                 0.0000                 4.9979
 Beta2  Fr= 1--      8.3670                 3.3485                 1.3081
 AlphaG Fr= 1--      0.0710                 0.0012                -1.1915
 Gamma2 Fr= 1--    -17.0176                 9.1527                -6.0299
 Delta2 Fr= 1--    -10.6161                 5.0271                 0.1982
 Raman1 Fr= 1--     283.526                 93.763                936.252
 ROA1   Fr= 1--   -1973.401               1039.528               -572.529
 CID1   Fr= 1--      -6.960                 11.087                 -0.612
 Raman2 Fr= 1--     100.404                 40.182                 15.697
 ROA2   Fr= 1--    -323.493                179.448               -146.303
 CID2   Fr= 1--      -3.222                  4.466                 -9.321
 Raman3 Fr= 1--     200.809                 80.365                 31.393
 ROA3   Fr= 1--   -1973.401               1039.528               -572.529
 CID3   Fr= 1--      -9.827                 12.935                -18.237
 RC180  Fr= 1--       0.417                  0.714                 -0.933
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.07  -0.04    -0.00   0.00   0.00    -0.00   0.03   0.01
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     8   6    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.02  -0.03   0.05
     9   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.01  -0.00  -0.01
    10   1     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.02  -0.01
    11   1     0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.02
    12   1    -0.05  -0.02  -0.03    -0.00  -0.00  -0.00     0.01   0.00   0.01
    13   1    -0.01   0.00   0.02     0.00  -0.00  -0.01     0.00  -0.00  -0.01
    14   1     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.00  -0.00   0.00
    15   1    -0.01   0.81   0.41     0.00  -0.05  -0.03     0.00  -0.33  -0.16
    16   6     0.00  -0.00   0.00     0.03  -0.07  -0.02     0.00  -0.00  -0.00
    17   6    -0.00   0.01  -0.00    -0.02   0.04   0.01     0.01  -0.00  -0.01
    18   1    -0.05   0.04  -0.00     0.03  -0.02   0.00    -0.15   0.11  -0.00
    19   1    -0.17  -0.05  -0.14     0.02   0.01   0.01    -0.31  -0.09  -0.27
    20   1     0.23   0.16  -0.13    -0.02  -0.02   0.01     0.58   0.41  -0.33
    21   1    -0.01  -0.01  -0.01     0.02  -0.02  -0.00     0.00  -0.00  -0.00
    22   1     0.00   0.04  -0.00     0.04   0.61  -0.07     0.00   0.03  -0.00
    23   1    -0.01   0.00   0.00    -0.47   0.24   0.32    -0.06   0.03   0.04
    24   1     0.01  -0.01   0.04    -0.01   0.01  -0.01     0.02  -0.02   0.09
    25   1     0.04  -0.02  -0.03     0.25  -0.12  -0.17    -0.11   0.05   0.07
    26   1     0.00  -0.06   0.01    -0.00  -0.33   0.05     0.00  -0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3077.0610              3098.7079              3109.9307
 Red. masses --      1.0999                 1.0989                 1.0998
 Frc consts  --      6.1357                 6.2171                 6.2672
 IR Inten    --     59.0396                24.4589                29.4901
 RamAct Fr= 1--    137.6425                82.2057                26.1408
  Dep-P Fr= 1--      0.7242                 0.6879                 0.6494
  Dep-U Fr= 1--      0.8400                 0.8151                 0.7874
 Alpha2 Fr= 1--      0.0611                 0.0896                 0.0473
 Beta2  Fr= 1--     19.2702                11.1679                 3.4306
 AlphaG Fr= 1--      0.0301                 0.0973                -0.0233
 Gamma2 Fr= 1--     -1.1860                 0.6158                -0.0492
 Delta2 Fr= 1--      0.4342                 0.8629                -1.0788
 Raman1 Fr= 1--     550.570                328.823                104.563
 ROA1   Fr= 1--     -99.958                 86.729                -39.248
 CID1   Fr= 1--      -0.182                  0.264                 -0.375
 Raman2 Fr= 1--     231.242                134.014                 41.167
 ROA2   Fr= 1--     -31.937                  7.875                  7.448
 CID2   Fr= 1--      -0.138                  0.059                  0.181
 Raman3 Fr= 1--     462.484                268.029                 82.335
 ROA3   Fr= 1--     -99.958                 86.729                -39.248
 CID3   Fr= 1--      -0.216                  0.324                 -0.477
 RC180  Fr= 1--       0.680                  0.630                  0.575
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00    -0.06  -0.05  -0.05     0.00   0.00   0.00
     5   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.01     0.00   0.00   0.00     0.04   0.02   0.01
     9   1     0.00   0.00   0.00    -0.03  -0.01  -0.01    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.02  -0.01  -0.01     0.75   0.32   0.43    -0.01  -0.00  -0.00
    13   1     0.00  -0.00  -0.01    -0.08   0.05   0.25     0.00  -0.00  -0.00
    14   1     0.00   0.01  -0.00     0.06   0.21  -0.13    -0.00  -0.00   0.00
    15   1    -0.00   0.09   0.05     0.00   0.04   0.02    -0.00  -0.01  -0.01
    16   6     0.02  -0.04  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6     0.04  -0.07  -0.02     0.00  -0.00  -0.00     0.00   0.03  -0.08
    18   1    -0.01   0.01  -0.00    -0.01   0.00   0.00    -0.01   0.01  -0.00
    19   1     0.03   0.01   0.03    -0.01  -0.00  -0.01    -0.21  -0.06  -0.20
    20   1    -0.07  -0.05   0.04    -0.00  -0.00   0.00    -0.22  -0.16   0.13
    21   1     0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.03   0.01   0.01
    22   1     0.02   0.33  -0.04     0.00   0.01  -0.00     0.00  -0.00   0.00
    23   1    -0.25   0.13   0.17    -0.01   0.00   0.00     0.00  -0.00  -0.00
    24   1     0.01  -0.02   0.00     0.00  -0.00   0.01     0.12  -0.17   0.82
    25   1    -0.46   0.22   0.32    -0.01   0.00   0.00    -0.17   0.09   0.10
    26   1     0.01   0.62  -0.08     0.00   0.00  -0.00     0.00  -0.23   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3128.0291              3132.1987              3149.9978
 Red. masses --      1.0947                 1.1010                 1.0905
 Frc consts  --      6.3106                 6.3642                 6.3750
 IR Inten    --     13.1850                47.5982                24.9582
 RamAct Fr= 1--     49.1081               105.5346               158.3506
  Dep-P Fr= 1--      0.4988                 0.4962                 0.2467
  Dep-U Fr= 1--      0.6656                 0.6633                 0.3958
 Alpha2 Fr= 1--      0.2439                 0.5304                 1.8942
 Beta2  Fr= 1--      5.4475                11.6664                10.4445
 AlphaG Fr= 1--      0.3758                 0.0242                -0.1034
 Gamma2 Fr= 1--      4.0483                -1.0548                 1.2521
 Delta2 Fr= 1--     -0.4684                 1.5658                 1.1754
 Raman1 Fr= 1--     196.432                422.138                633.402
 ROA1   Fr= 1--     373.645                -51.158                157.810
 CID1   Fr= 1--       1.902                 -0.121                  0.249
 Raman2 Fr= 1--      65.370                139.997                125.335
 ROA2   Fr= 1--     100.906                -37.842                 20.647
 CID2   Fr= 1--       1.544                 -0.270                  0.165
 Raman3 Fr= 1--     130.740                279.995                250.669
 ROA3   Fr= 1--     373.645                -51.158                157.810
 CID3   Fr= 1--       2.858                 -0.183                  0.630
 RC180  Fr= 1--       0.331                  0.327                 -0.208
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.03  -0.04
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01   0.00   0.00    -0.07  -0.03  -0.03     0.00   0.00   0.00
     9   1     0.01   0.00   0.00     0.02   0.01   0.01     0.83   0.31   0.45
    10   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.02  -0.01
    11   1    -0.00   0.00   0.01     0.00   0.00   0.00    -0.01   0.01   0.02
    12   1     0.00   0.00   0.00     0.01   0.00   0.00     0.03   0.01   0.02
    13   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.00   0.05   0.02    -0.00  -0.01  -0.01
    16   6    -0.08  -0.03  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.00  -0.00   0.01    -0.00   0.01  -0.03     0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00     0.04  -0.03  -0.00    -0.01   0.00  -0.00
    19   1    -0.06  -0.02  -0.05     0.59   0.17   0.53    -0.01  -0.00  -0.01
    20   1    -0.01  -0.01   0.01     0.29   0.21  -0.18    -0.00  -0.00   0.00
    21   1     0.82   0.30   0.37     0.08   0.03   0.04    -0.01  -0.00  -0.00
    22   1    -0.01   0.20  -0.03    -0.00   0.02  -0.00    -0.00  -0.00   0.00
    23   1     0.14  -0.09  -0.11     0.01  -0.01  -0.01    -0.00   0.00   0.00
    24   1    -0.01   0.01  -0.06     0.06  -0.08   0.37    -0.00   0.00  -0.00
    25   1     0.01  -0.01  -0.00    -0.06   0.03   0.04    -0.00   0.00   0.00
    26   1     0.00   0.02   0.00     0.00  -0.08   0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   927.017381463.814421595.54340
           X            0.99999  -0.00503   0.00113
           Y            0.00502   0.99996   0.00796
           Z           -0.00117  -0.00796   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09343     0.05917     0.05428
 Rotational constants (GHZ):           1.94683     1.23290     1.13111
 Zero-point vibrational energy     617927.4 (Joules/Mol)
                                  147.68819 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    178.96   261.98   280.58   293.83   323.92
          (Kelvin)            380.22   441.87   484.58   562.48   571.34
                              619.28   672.20   704.53   832.13   905.18
                              974.91  1128.17  1165.03  1193.72  1227.77
                             1295.78  1327.34  1355.44  1374.39  1403.39
                             1404.93  1472.23  1493.27  1526.75  1534.36
                             1563.50  1599.04  1624.40  1658.45  1717.41
                             1746.25  1776.10  1788.08  1803.28  1843.79
                             1868.41  1929.07  1958.99  1974.22  2018.37
                             2033.60  2045.54  2125.97  2128.56  2135.01
                             2141.23  2149.07  2158.88  2179.41  2185.47
                             2478.09  4316.83  4328.72  4342.19  4347.71
                             4357.19  4384.19  4393.38  4408.95  4416.23
                             4423.73  4427.20  4458.35  4474.50  4500.54
                             4506.54  4532.14
 
 Zero-point correction=                           0.235356 (Hartree/Particle)
 Thermal correction to Energy=                    0.245170
 Thermal correction to Enthalpy=                  0.246114
 Thermal correction to Gibbs Free Energy=         0.201678
 Sum of electronic and zero-point Energies=           -390.613306
 Sum of electronic and thermal Energies=              -390.603492
 Sum of electronic and thermal Enthalpies=            -390.602548
 Sum of electronic and thermal Free Energies=         -390.646984
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.846             40.194             93.523
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.161
 Vibrational            152.069             34.232             23.725
 Vibration     1          0.610              1.929              3.031
 Vibration     2          0.630              1.864              2.307
 Vibration     3          0.636              1.847              2.180
 Vibration     4          0.640              1.834              2.095
 Vibration     5          0.650              1.803              1.917
 Vibration     6          0.671              1.738              1.633
 Vibration     7          0.697              1.660              1.378
 Vibration     8          0.718              1.602              1.227
 Vibration     9          0.759              1.490              0.997
 Vibration    10          0.764              1.476              0.973
 Vibration    11          0.792              1.404              0.857
 Vibration    12          0.824              1.323              0.745
 Vibration    13          0.846              1.273              0.684
 Vibration    14          0.935              1.078              0.488
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.171709D-92        -92.765208       -213.599785
 Total V=0       0.309734D+16         15.490989         35.669321
 Vib (Bot)       0.522208-106       -106.282156       -244.723709
 Vib (Bot)    1  0.164124D+01          0.215173          0.495455
 Vib (Bot)    2  0.110226D+01          0.042285          0.097365
 Vib (Bot)    3  0.102439D+01          0.010466          0.024099
 Vib (Bot)    4  0.974768D+00         -0.011099         -0.025556
 Vib (Bot)    5  0.876683D+00         -0.057158         -0.131610
 Vib (Bot)    6  0.733426D+00         -0.134644         -0.310028
 Vib (Bot)    7  0.616729D+00         -0.209906         -0.483325
 Vib (Bot)    8  0.552439D+00         -0.257716         -0.593413
 Vib (Bot)    9  0.458916D+00         -0.338267         -0.778889
 Vib (Bot)   10  0.449793D+00         -0.346987         -0.798967
 Vib (Bot)   11  0.404674D+00         -0.392894         -0.904673
 Vib (Bot)   12  0.361879D+00         -0.441436         -1.016445
 Vib (Bot)   13  0.338699D+00         -0.470186         -1.082644
 Vib (Bot)   14  0.263907D+00         -0.578549         -1.332159
 Vib (V=0)       0.941978D+02          1.974041          4.545396
 Vib (V=0)    1  0.221572D+01          0.345514          0.795576
 Vib (V=0)    2  0.171036D+01          0.233089          0.536707
 Vib (V=0)    3  0.163990D+01          0.214818          0.494637
 Vib (V=0)    4  0.159552D+01          0.202903          0.467202
 Vib (V=0)    5  0.150924D+01          0.178759          0.411609
 Vib (V=0)    6  0.138765D+01          0.142278          0.327608
 Vib (V=0)    7  0.129395D+01          0.111917          0.257699
 Vib (V=0)    8  0.124511D+01          0.095208          0.219224
 Vib (V=0)    9  0.117868D+01          0.071395          0.164393
 Vib (V=0)   10  0.117254D+01          0.069129          0.159175
 Vib (V=0)   11  0.114324D+01          0.058138          0.133869
 Vib (V=0)   12  0.111722D+01          0.048137          0.110841
 Vib (V=0)   13  0.110392D+01          0.042937          0.098866
 Vib (V=0)   14  0.106537D+01          0.027502          0.063325
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.526729D+06          5.721587         13.174441
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000020756    0.000016571   -0.000003148
      2        6           0.000002715   -0.000033736    0.000014781
      3        6          -0.000039220    0.000021345   -0.000006710
      4        6          -0.000000937    0.000001069   -0.000000928
      5        6           0.000081735    0.000008569    0.000036076
      6        6          -0.000020464    0.000016095   -0.000040666
      7        6          -0.000007164    0.000024953    0.000020334
      8        6          -0.000000954   -0.000032311   -0.000023921
      9        1          -0.000002528   -0.000001739   -0.000001447
     10        1           0.000002334   -0.000001214   -0.000000994
     11        1           0.000007878    0.000003379    0.000000668
     12        1           0.000002619   -0.000003657   -0.000003788
     13        1           0.000000185   -0.000001572   -0.000002097
     14        1          -0.000000453   -0.000003442   -0.000001043
     15        1          -0.000002661   -0.000000993    0.000001116
     16        6          -0.000008622    0.000000885   -0.000002009
     17        6           0.000009320    0.000005739   -0.000004485
     18        1           0.000000273    0.000000900    0.000004453
     19        1          -0.000007618   -0.000004873   -0.000015285
     20        1           0.000000492    0.000003088   -0.000002365
     21        1           0.000003390   -0.000026953    0.000019612
     22        1           0.000000131    0.000001526   -0.000002214
     23        1          -0.000000722    0.000000653    0.000005664
     24        1           0.000003820    0.000004735    0.000002413
     25        1          -0.000001258    0.000002318   -0.000001236
     26        1          -0.000001535   -0.000001338    0.000007220
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000081735 RMS     0.000015694
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.121253D+03 -0.861663D-01  0.384705D+00
      2  -0.861663D-01  0.118442D+03  0.462431D+01
      3   0.384705D+00  0.462431D+01  0.106202D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.223237D+00  0.284077D+01  0.443255D+01
      2   0.374626D+01  0.153182D+02 -0.330303D+01
      3   0.727752D+01 -0.222878D+02 -0.142257D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.112126D+02 -0.362465D+02  0.197939D+01
      2   0.549528D+01  0.184014D+02  0.756512D+01
      3  -0.167079D+02  0.178451D+02 -0.954451D+01
      4  -0.364134D+02  0.335215D+02  0.264235D+02
      5   0.140403D+02  0.237863D+02 -0.193620D+02
      6   0.979453D+01  0.184126D+02  0.105252D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.333113D+01  0.956799D-01 -0.164331D+01  0.174130D+01 -0.522729D+00
      2   0.956799D-01 -0.875751D+00 -0.255209D+01 -0.522729D+00  0.153261D+02
      3  -0.164331D+01 -0.255209D+01 -0.205069D+01 -0.198925D+01  0.296699D+01
                 6             7             8             9            10 
      1  -0.198925D+01 -0.133687D+01 -0.293656D+01 -0.177212D+01  0.107455D+01
      2   0.296699D+01 -0.293656D+01  0.208265D+01  0.358686D+01  0.895082D+00
      3   0.289355D+01 -0.177212D+01  0.358686D+01  0.527995D+01  0.633104D+00
                11            12            13            14            15 
      1   0.895082D+00  0.633104D+00  0.158000D+01  0.168456D-02  0.203008D+01
      2   0.737683D+00  0.336049D+01  0.168456D-02 -0.111242D+02  0.695207D+00
      3   0.336049D+01  0.285622D+01  0.203008D+01  0.695207D+00 -0.151191D+01
                16            17            18            19            20 
      1   0.974622D+00  0.296919D+01  0.284976D+01  0.230702D+01 -0.259694D+01
      2   0.296919D+01  0.236159D+01 -0.374939D+01 -0.259694D+01  0.128478D+01
      3   0.284976D+01 -0.374939D+01 -0.573512D+01 -0.388693D+00  0.113448D+01
                21            22            23            24            25 
      1  -0.388693D+00 -0.237894D+01  0.112059D+01  0.128170D+01 -0.923637D+00
      2   0.113448D+01  0.112059D+01 -0.153330D+02 -0.408164D+01  0.586368D+00
      3   0.736278D+00  0.128170D+01 -0.408164D+01 -0.382105D+01  0.144203D+01
                26            27            28            29            30 
      1   0.586368D+00  0.144203D+01 -0.439442D+01 -0.697325D+00 -0.116424D+01
      2  -0.417960D+01 -0.376184D+01 -0.697325D+00 -0.462933D+00 -0.271157D+01
      3  -0.376184D+01 -0.431680D+01 -0.116424D+01 -0.271157D+01 -0.258794D+01
                31            32            33            34            35 
      1  -0.228207D+01 -0.205545D+01 -0.253258D+01 -0.127717D+01 -0.264784D+01
      2  -0.205545D+01  0.939474D+01 -0.357597D+00 -0.264784D+01 -0.846720D+00
      3  -0.253258D+01 -0.357597D+00  0.180635D+01 -0.412100D+01  0.374354D+01
                36            37            38            39            40 
      1  -0.412100D+01  0.437110D+01  0.179120D+01 -0.259485D+01 -0.188167D+01
      2   0.374354D+01  0.179120D+01  0.898223D+00 -0.916222D+00  0.239106D+00
      3   0.465419D+01 -0.259485D+01 -0.916222D+00  0.313797D+01 -0.193138D+01
                41            42            43            44            45 
      1   0.239106D+00 -0.193138D+01 -0.550285D+01 -0.128480D+01  0.262966D+01
      2   0.393589D+01  0.378234D+01 -0.128480D+01  0.337903D+01  0.257602D+00
      3   0.378234D+01 -0.140936D+01  0.262966D+01  0.257602D+00  0.556658D+00
                46            47            48            49            50 
      1  -0.348469D+01  0.123158D+01  0.483963D+01  0.349110D+01 -0.154990D+01
      2   0.123158D+01 -0.116158D+01  0.708620D+00 -0.154990D+01 -0.743550D+01
      3   0.483963D+01  0.708620D+00 -0.172040D+01  0.891332D+00  0.178016D+01
                51            52            53            54            55 
      1   0.891332D+00  0.717394D+01  0.127683D+01 -0.156701D+01  0.233589D+01
      2   0.178016D+01  0.127683D+01  0.216914D+01  0.126812D+01 -0.373748D+01
      3   0.106136D+01 -0.156701D+01  0.126812D+01 -0.234726D+01 -0.148814D+01
                56            57            58            59            60 
      1  -0.373748D+01 -0.148814D+01 -0.379006D+01  0.443638D+01 -0.164661D+01
      2   0.425829D+01 -0.155898D+01  0.443638D+01  0.330510D+01 -0.246392D+01
      3  -0.155898D+01 -0.156376D+01 -0.164661D+01 -0.246392D+01  0.250759D+01
                61            62            63            64            65 
      1  -0.155805D+01 -0.179870D+01 -0.179026D+01  0.190945D+00 -0.755890D+00
      2  -0.179870D+01 -0.293212D+01  0.172884D+01 -0.755890D+00 -0.229447D+01
      3  -0.179026D+01  0.172884D+01  0.339537D+01  0.323238D+01  0.371402D+01
                66            67            68            69            70 
      1   0.323238D+01  0.448228D+00 -0.184928D+01  0.441798D+01  0.305831D+01
      2   0.371402D+01 -0.184928D+01  0.112041D+01 -0.124964D+01  0.284253D+01
      3   0.957683D+00  0.441798D+01 -0.124964D+01 -0.640397D+00  0.120208D+01
                71            72            73            74            75 
      1   0.284253D+01  0.120208D+01  0.779439D+01  0.260529D+01  0.322508D+01
      2  -0.632131D+00 -0.123171D+01  0.260529D+01  0.125381D+01  0.123644D+01
      3  -0.123171D+01 -0.754031D+00  0.322508D+01  0.123644D+01  0.227537D+01
                76            77            78            79            80 
      1   0.192261D+01  0.145580D+01  0.927949D+00  0.332091D+01  0.159051D+01
      2   0.145580D+01  0.211454D+01  0.148484D+01  0.159051D+01  0.188284D+01
      3   0.927949D+00  0.148484D+01  0.127542D+01  0.226720D+01  0.854065D+00
                81            82            83            84            85 
      1   0.226720D+01  0.907540D+00  0.152271D+01 -0.426314D+00  0.137340D+01
      2   0.854065D+00  0.152271D+01  0.212802D+01 -0.334139D+00  0.123606D+01
      3   0.147780D+01 -0.426314D+00 -0.334139D+00 -0.134928D+00 -0.315724D+00
                86            87            88            89            90 
      1   0.123606D+01 -0.315724D+00 -0.800498D+00 -0.692839D+00 -0.957297D-01
      2   0.133501D+02 -0.984465D+00 -0.692839D+00 -0.355227D+01  0.222330D+01
      3  -0.984465D+00  0.106789D+01 -0.957297D-01  0.222330D+01 -0.157789D+00
                91            92            93            94            95 
      1  -0.124638D+01  0.691959D+00  0.142650D+01  0.129034D+00 -0.659419D+00
      2   0.691959D+00 -0.786960D+00 -0.116559D+01 -0.659419D+00  0.358725D+01
      3   0.142650D+01 -0.116559D+01 -0.179284D+01 -0.513407D+00  0.214648D+01
                96            97            98            99           100 
      1  -0.513407D+00  0.155763D+01 -0.130679D+01 -0.166819D+01  0.873106D+01
      2   0.214648D+01 -0.130679D+01  0.339845D+01  0.420755D+01  0.592214D-01
      3   0.174556D+01 -0.166819D+01  0.420755D+01  0.831902D+01  0.213485D+01
               101           102           103           104           105 
      1   0.592214D-01  0.213485D+01  0.275236D+01  0.675470D+00  0.608765D+00
      2   0.714942D+00  0.103821D+00  0.675470D+00  0.385443D+00  0.531688D+00
      3   0.103821D+00  0.158833D+01  0.608765D+00  0.531688D+00  0.440664D+00
               106           107           108           109           110 
      1   0.352195D+01 -0.985165D-01  0.221891D+01  0.232548D+01 -0.893121D+00
      2  -0.985165D-01  0.781509D+00 -0.217367D+00 -0.893121D+00  0.371245D+00
      3   0.221891D+01 -0.217367D+00  0.115611D+01 -0.172037D+01  0.997169D+00
               111           112           113           114           115 
      1  -0.172037D+01 -0.675694D+00  0.161119D+01  0.107011D+01 -0.344629D+01
      2   0.997169D+00  0.161119D+01 -0.314316D+01 -0.162806D+01  0.265858D+01
      3   0.174801D+01  0.107011D+01 -0.162806D+01 -0.162292D+01  0.340805D+01
               116           117           118           119           120 
      1   0.265858D+01  0.340805D+01 -0.488265D+00 -0.519236D+00  0.552571D+00
      2  -0.303325D+01 -0.336520D+01 -0.519236D+00 -0.185639D+01  0.416441D+00
      3  -0.336520D+01 -0.728189D+01  0.552571D+00  0.416441D+00 -0.151892D+00
               121           122           123           124           125 
      1  -0.175784D+01  0.163519D+01  0.322396D+00  0.963046D+00 -0.132473D+00
      2   0.163519D+01 -0.101097D+02  0.175265D+01 -0.132473D+00  0.304480D+01
      3   0.322396D+00  0.175265D+01 -0.148632D+01  0.633001D+00 -0.235978D+01
               126           127           128           129           130 
      1   0.633001D+00  0.470921D+00 -0.123684D+01 -0.187582D+00 -0.164094D+01
      2  -0.235978D+01 -0.123684D+01 -0.196963D+00  0.146269D+00  0.749343D+00
      3   0.725488D+00 -0.187582D+00  0.146269D+00 -0.142310D+00  0.393293D+00
               131           132           133           134           135 
      1   0.749343D+00  0.393293D+00 -0.819329D-01  0.493498D+00  0.104469D+00
      2  -0.766480D+01 -0.320355D+01  0.493498D+00 -0.271688D+01 -0.220276D+01
      3  -0.320355D+01 -0.212080D+01  0.104469D+00 -0.220276D+01 -0.237805D+01
               136           137           138           139           140 
      1  -0.566780D+00 -0.242514D+01 -0.432861D+01 -0.320833D+01  0.913210D+00
      2  -0.242514D+01  0.544710D+00  0.244624D+00  0.913210D+00  0.644604D+01
      3  -0.432861D+01  0.244624D+00  0.134845D+01  0.389742D+00 -0.244452D+01
               141           142           143           144           145 
      1   0.389742D+00 -0.467952D+01  0.387828D-01  0.142129D+01  0.122440D+01
      2  -0.244452D+01  0.387828D-01 -0.143951D+01 -0.183070D+01 -0.285921D+01
      3  -0.193508D+01  0.142129D+01 -0.183070D+01  0.197443D+01 -0.386771D+01
               146           147           148           149           150 
      1  -0.285921D+01 -0.386771D+01 -0.418741D+01  0.139192D+01 -0.197422D+00
      2   0.119881D+00 -0.291649D+00  0.139192D+01  0.700302D+01 -0.104915D+01
      3  -0.291649D+00  0.151123D+01 -0.197422D+00 -0.104915D+01 -0.180748D+01
               151           152           153           154           155 
      1  -0.465916D+01 -0.200480D+00  0.210272D+01 -0.674765D+01  0.425254D+01
      2  -0.200480D+00 -0.121941D+01 -0.157223D+01  0.425254D+01 -0.392186D+01
      3   0.210272D+01 -0.157223D+01  0.449232D+01  0.549320D-01  0.301192D+00
               156           157           158           159           160 
      1   0.549320D-01  0.330938D+01 -0.354599D+01  0.372733D+00  0.216770D+00
      2   0.301192D+00 -0.354599D+01  0.447383D+01  0.782977D-01  0.295002D+00
      3  -0.679500D+00  0.372733D+00  0.782977D-01  0.474243D+00 -0.994802D+00
               161           162           163           164           165 
      1   0.295002D+00 -0.994802D+00 -0.398445D+01 -0.319892D+00 -0.315991D+01
      2   0.237377D+00  0.981288D+00 -0.319892D+00 -0.607256D+00 -0.245346D+00
      3   0.981288D+00 -0.280239D+00 -0.315991D+01 -0.245346D+00 -0.386975D+01
               166           167           168           169           170 
      1  -0.718005D+00 -0.710469D+00 -0.647081D+00 -0.255751D+01 -0.284516D+00
      2  -0.710469D+00 -0.521448D+00 -0.791727D+00 -0.284516D+00 -0.551980D+00
      3  -0.647081D+00 -0.791727D+00 -0.636000D+00 -0.329563D+01 -0.109138D+00
               171           172           173           174           175 
      1  -0.329563D+01  0.324480D+01  0.153527D+01 -0.264486D+01  0.119231D+01
      2  -0.109138D+00  0.153527D+01  0.184165D+01 -0.193777D+01  0.145701D+01
      3  -0.631465D+01 -0.264486D+01 -0.193777D+01  0.317868D+01 -0.153809D+01
               176           177           178           179           180 
      1   0.145701D+01 -0.153809D+01 -0.142446D+01 -0.983109D+00  0.163919D+01
      2   0.242523D+01 -0.194538D+01 -0.983109D+00 -0.113618D+01  0.180714D+01
      3  -0.194538D+01  0.242245D+01  0.163919D+01  0.180714D+01 -0.416601D+01
               181           182           183           184           185 
      1   0.467342D+01  0.100141D+01  0.156685D+01  0.155626D+01  0.706745D+00
      2   0.100141D+01  0.911078D+00 -0.211458D+00  0.706745D+00  0.104011D-01
      3   0.156685D+01 -0.211458D+00  0.276735D+01 -0.466244D-01  0.541388D+00
               186           187           188           189           190 
      1  -0.466244D-01  0.174501D+01  0.104181D+00  0.164421D+01 -0.395473D+00
      2   0.541388D+00  0.104181D+00  0.524534D+00  0.561297D+00 -0.897177D+00
      3   0.126015D+01  0.164421D+01  0.561297D+00  0.217960D+01  0.944679D+00
               191           192           193           194           195 
      1  -0.897177D+00  0.944679D+00 -0.107152D+01 -0.104149D+01  0.364790D+00
      2  -0.356607D+00  0.105351D+00 -0.104149D+01 -0.842909D+01  0.320364D+01
      3   0.105351D+00 -0.476067D+00  0.364790D+00  0.320364D+01 -0.257022D+01
               196           197           198           199           200 
      1   0.427164D+00  0.104057D+00 -0.373979D+00 -0.476305D+01  0.902145D+00
      2   0.104057D+00  0.114406D+01 -0.133860D+01  0.902145D+00 -0.112148D+01
      3  -0.373979D+00 -0.133860D+01  0.972710D+00  0.358283D+01 -0.349826D+00
               201           202           203           204           205 
      1   0.358283D+01  0.192514D+01 -0.111170D+01 -0.118660D+01  0.250407D+01
      2  -0.349826D+00 -0.111170D+01  0.295705D+00  0.121634D+01 -0.408995D+00
      3  -0.386429D+01 -0.118660D+01  0.121634D+01  0.197776D+01 -0.278086D+01
               206           207           208           209           210 
      1  -0.408995D+00 -0.278086D+01 -0.111431D+01  0.544858D+00 -0.128246D+01
      2   0.738709D+00  0.754403D+00  0.544858D+00 -0.390175D-01 -0.416619D-02
      3   0.754403D+00  0.401544D+01 -0.128246D+01 -0.416619D-02 -0.153743D+01
               211           212           213           214           215 
      1   0.114231D+01 -0.314522D+00  0.122837D+00 -0.231171D+01 -0.461736D+00
      2  -0.314522D+00 -0.269736D+00 -0.836572D+00 -0.461736D+00 -0.107599D+01
      3   0.122837D+00 -0.836572D+00  0.739923D+00 -0.240592D+01  0.291481D+00
               216           217           218           219           220 
      1  -0.240592D+01 -0.832988D+01  0.791635D+00  0.226849D+01  0.325512D+01
      2   0.291481D+00  0.791635D+00 -0.955819D+00 -0.238054D+00 -0.133193D+01
      3  -0.677505D+01  0.226849D+01 -0.238054D+00 -0.148161D+01 -0.552931D+00
               221           222           223           224           225 
      1  -0.133193D+01 -0.552931D+00  0.420531D+01  0.286359D-02 -0.210101D+01
      2   0.187398D+00  0.599250D+00  0.286359D-02  0.886105D+00  0.439766D+00
      3   0.599250D+00  0.873599D+00 -0.210101D+01  0.439766D+00  0.142509D+01
               226           227           228           229           230 
      1  -0.805036D+00 -0.982307D+00  0.435165D+00 -0.222607D+01 -0.293681D+01
      2  -0.982307D+00 -0.427235D+00  0.479395D-01 -0.293681D+01 -0.933068D+01
      3   0.435165D+00  0.479395D-01 -0.521696D-01 -0.960146D-01  0.256932D+00
               231           232           233           234 
      1  -0.960146D-01  0.890947D+00  0.274980D+00 -0.596046D+00
      2   0.256932D+00  0.274980D+00  0.685230D+00 -0.966549D+00
      3  -0.984972D+00 -0.596046D+00 -0.966549D+00 -0.117260D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.136396D+01  0.165709D+01  0.424746D+00  0.274596D+01  0.850273D+01
      2   0.208271D+01 -0.164169D+01 -0.222820D+01 -0.101602D+00  0.872092D+01
      3  -0.247070D+01 -0.511919D+01  0.107255D+01  0.162803D+01 -0.412101D+02
                 6             7             8             9            10 
      1  -0.220844D+01  0.992367D+00  0.483600D+01  0.127307D+00 -0.128732D+01
      2   0.103516D+02 -0.898302D+01  0.135972D+02  0.145222D+02 -0.845430D+00
      3  -0.114556D+02  0.148100D+01 -0.938609D+01 -0.132987D+02  0.369540D+01
                11            12            13            14            15 
      1  -0.740456D+01 -0.408969D+01 -0.452936D+01 -0.160752D+02  0.813424D+00
      2   0.251450D+01  0.308537D+01  0.651678D-01 -0.376736D+01 -0.242076D+01
      3  -0.478566D+01 -0.255646D+01  0.524480D+01  0.798537D+01  0.583208D+01
                16            17            18            19            20 
      1  -0.539546D+01  0.172162D+02  0.137722D+02 -0.131120D+01 -0.164722D+01
      2  -0.118207D+01 -0.271756D+01 -0.530108D+01 -0.570754D+00  0.539332D+01
      3  -0.665610D+00  0.885580D+01  0.108415D+02  0.941325D+01 -0.675155D+01
                21            22            23            24            25 
      1  -0.216448D-01 -0.235911D+01 -0.109619D+02 -0.197225D+01 -0.247202D+01
      2   0.206480D+01  0.429075D+01 -0.104061D+02 -0.111678D+02 -0.503795D+01
      3  -0.454247D+01  0.352501D+01  0.405162D+02  0.128229D+02 -0.308228D+01
                26            27            28            29            30 
      1   0.471683D+01  0.262036D+01 -0.162027D+01 -0.547091D+01 -0.441557D+01
      2  -0.999542D+01 -0.158835D+02 -0.520165D+01 -0.899646D+01 -0.572119D+01
      3   0.127777D+02  0.105901D+02  0.109188D+02 -0.209834D+01  0.102438D+02
                31            32            33            34            35 
      1  -0.315047D+01 -0.573708D+01  0.169712D+01 -0.926323D+01  0.130309D+02
      2  -0.809913D+01 -0.268179D+01  0.414549D+01 -0.159348D+02  0.132744D+02
      3   0.123993D+02 -0.283385D+02  0.547167D+01  0.101603D+02  0.994508D+01
                36            37            38            39            40 
      1   0.907548D+01 -0.886212D+00  0.189898D+00  0.468930D+01 -0.413597D+01
      2   0.145096D+02  0.784912D+01  0.337628D+01  0.348450D+01 -0.290231D+01
      3  -0.426826D+01 -0.134535D+02 -0.864609D+01 -0.715043D+00  0.820039D+01
                41            42            43            44            45 
      1   0.117572D+01 -0.114407D+02  0.748421D+01  0.851678D+00  0.425018D+01
      2   0.297299D+01 -0.466521D+01 -0.948887D+01 -0.407259D+01  0.439743D+01
      3   0.133045D+01  0.247450D+01  0.517922D+01 -0.192849D+00 -0.664959D+01
                46            47            48            49            50 
      1   0.443448D+01 -0.288149D+00 -0.218554D+01 -0.116495D+01 -0.188114D+01
      2  -0.124966D+02 -0.301940D+01  0.679629D+01  0.801287D+00 -0.171670D+01
      3   0.113807D+02 -0.502259D+01 -0.188665D+01 -0.250542D+01 -0.150964D+02
                51            52            53            54            55 
      1  -0.225461D+01 -0.251143D+01  0.728679D+01 -0.265166D+01  0.267374D+01
      2  -0.113693D+01 -0.109899D+01 -0.297820D+01  0.625084D+01  0.264038D+01
      3   0.284634D+01 -0.720926D+01  0.193062D+01  0.502947D+01 -0.337123D+01
                56            57            58            59            60 
      1   0.240998D+01  0.643382D+01  0.324281D+01  0.405395D+01 -0.695081D+01
      2   0.209314D+01  0.471819D+01  0.158447D+01  0.249460D+01 -0.336199D+01
      3  -0.651018D+01 -0.378181D+01  0.330318D+01  0.124274D+02 -0.534893D+01
                61            62            63            64            65 
      1   0.427989D+01  0.447721D+00 -0.884821D+01 -0.220338D+01  0.291013D+01
      2  -0.244920D+01 -0.252288D+01 -0.520317D+01 -0.139316D+01 -0.424291D+01
      3  -0.511794D+01 -0.641770D+01 -0.122910D+01  0.213960D+01 -0.463103D+01
                66            67            68            69            70 
      1  -0.124547D+02  0.587222D+01 -0.189684D+01  0.657565D+01 -0.102510D+02
      2   0.100480D+02 -0.101667D+01 -0.421119D+01  0.137811D+02  0.265453D+01
      3   0.620659D+01 -0.110656D+01 -0.185359D+01 -0.115353D+01  0.462940D+01
                71            72            73            74            75 
      1   0.783833D+01  0.267629D+01 -0.184192D+01  0.278342D+00 -0.286330D+01
      2   0.858337D+01  0.425739D+01 -0.598203D+00  0.966879D+00  0.552045D+01
      3   0.839907D+00  0.116969D+01  0.522915D+01 -0.164555D+01  0.158653D+01
                76            77            78            79            80 
      1  -0.121095D+00 -0.641822D+00 -0.101585D+01 -0.208571D+01  0.251306D+01
      2  -0.990857D-01  0.279826D+01  0.272665D+01  0.711726D+00 -0.148831D+01
      3   0.952823D+00 -0.224388D+01 -0.155278D+01  0.125161D+01 -0.372943D+01
                81            82            83            84            85 
      1  -0.133071D+01  0.193208D+01  0.274895D+01  0.774420D-01  0.781991D+00
      2   0.125547D+01 -0.792079D+00 -0.513529D+00  0.141631D+01 -0.103273D+01
      3   0.141169D+01  0.217943D+01  0.147024D+01 -0.806064D+00  0.646331D+01
                86            87            88            89            90 
      1   0.124954D+02 -0.605285D+01  0.451907D+00 -0.742525D+01  0.273025D+01
      2   0.804092D+00  0.788499D+00 -0.544398D+00  0.916029D+00  0.255057D+00
      3  -0.480350D+01 -0.461829D+00 -0.269190D+01 -0.164196D+00 -0.183925D+01
                91            92            93            94            95 
      1  -0.319407D+01  0.166243D+01  0.386987D+01  0.378512D+00 -0.105736D+01
      2   0.223205D+01 -0.116266D+01 -0.109021D+01 -0.714646D+00  0.228451D+01
      3  -0.436694D+01  0.475497D+00  0.417447D+01  0.187793D+01 -0.388035D+01
                96            97            98            99           100 
      1  -0.266028D+01  0.329775D+01 -0.424671D+01 -0.176492D+02  0.371286D+01
      2   0.911360D+00 -0.529692D+01  0.278216D+01  0.446752D+01  0.756180D+01
      3  -0.266145D+01  0.705652D+01 -0.573705D+01 -0.691412D+01 -0.130204D+02
               101           102           103           104           105 
      1   0.880559D+00  0.248141D+01  0.735176D+00  0.134788D+01 -0.199781D+00
      2   0.323098D+00  0.755330D+01  0.182869D+01  0.169049D+01  0.200309D+01
      3  -0.496663D+01 -0.388818D+01 -0.370457D+01 -0.313284D+01 -0.257555D+01
               106           107           108           109           110 
      1   0.301733D+01  0.635104D+00  0.141156D+01 -0.261228D+01  0.153693D+01
      2   0.524838D+01  0.212469D-01  0.462000D+01 -0.355690D+01  0.254544D+01
      3  -0.497583D+01 -0.349001D+01 -0.236331D+01 -0.659167D+00 -0.178240D+01
               111           112           113           114           115 
      1   0.305434D+01  0.172685D+01 -0.100877D+01 -0.329494D+01  0.534004D+01
      2   0.531893D+01  0.270648D+01 -0.419705D+01 -0.460743D+01  0.616299D+01
      3  -0.111207D+01 -0.232118D+01  0.742395D+01  0.311063D+01 -0.177679D+01
               116           117           118           119           120 
      1  -0.352341D+01 -0.120163D+02  0.680442D+00  0.184802D+01 -0.427218D+00
      2  -0.850063D+01 -0.209016D+02  0.149823D+01  0.212764D+01  0.365739D+00
      3   0.528722D+01  0.494045D+01  0.297584D+01  0.554434D+01 -0.246954D+01
               121           122           123           124           125 
      1  -0.335496D+00  0.542117D+01 -0.528643D+01  0.118451D+01 -0.426472D+01
      2   0.140425D+01  0.490277D+01 -0.434178D+01  0.352792D+00 -0.600648D+01
      3   0.598600D+00  0.281989D+02 -0.604657D+01 -0.208515D+01 -0.956478D+01
               126           127           128           129           130 
      1   0.210161D+01  0.136169D+01 -0.351000D+00 -0.155985D+00 -0.616315D+00
      2   0.232839D+01  0.961356D+00 -0.139223D+01  0.753694D+00 -0.278296D+01
      3   0.594534D+01 -0.586143D+00  0.522157D+00  0.116871D+00  0.551704D+01
               131           132           133           134           135 
      1   0.593596D+01 -0.204650D+01 -0.197730D+00  0.263085D+01 -0.916168D+00
      2   0.722574D+00  0.140638D+00 -0.220943D+01 -0.125005D-03 -0.567695D+00
      3   0.573133D+00  0.100431D-01  0.787618D+00  0.361702D+00  0.235247D+00
               136           137           138           139           140 
      1  -0.112393D+02  0.762372D+00  0.199728D+01  0.313200D+01  0.134224D+02
      2   0.101765D+02  0.474235D+01  0.118283D+02  0.646018D+01  0.984315D+00
      3  -0.353389D+01  0.219259D+00  0.503287D+01  0.664003D+01  0.842891D+01
               141           142           143           144           145 
      1  -0.118947D+02  0.935577D+00 -0.353015D+01 -0.287218D+01 -0.281988D+01
      2   0.157721D+01  0.647186D+01  0.308397D+01 -0.453038D+01  0.120721D+02
      3  -0.390068D+01  0.424085D+01 -0.230121D+01 -0.367552D+01 -0.131608D+02
               146           147           148           149           150 
      1  -0.832432D-01  0.262697D+01 -0.936478D+00 -0.385484D+01 -0.395990D+01
      2  -0.911606D+00 -0.522115D+01 -0.233036D+01  0.300927D+01  0.526324D+01
      3   0.272809D+01  0.388841D+01  0.126232D+02  0.214993D+02 -0.252255D+01
               151           152           153           154           155 
      1   0.436875D+01  0.818985D+00  0.765755D+01 -0.122445D+01  0.542126D+00
      2  -0.144051D+02  0.369059D+01 -0.158846D+02 -0.129480D+01  0.763823D+00
      3   0.480694D+01 -0.282075D+01 -0.772664D+01 -0.768536D+01 -0.103581D+01
               156           157           158           159           160 
      1   0.255602D+01  0.470985D+00 -0.160349D+01 -0.304902D+01  0.169006D+01
      2   0.335890D+01  0.418973D+00 -0.105844D+01 -0.203974D+01  0.254926D+00
      3   0.278654D+00  0.368620D+01  0.778436D+00  0.623042D+00  0.498802D+00
               161           162           163           164           165 
      1  -0.602056D+00  0.377593D+00  0.351628D+01  0.380053D+01  0.401669D+01
      2  -0.111247D+01  0.131325D+00 -0.100151D+02 -0.151071D+01 -0.368788D+01
      3   0.120655D+01 -0.443692D+00 -0.327669D+01 -0.268767D+01 -0.229977D+01
               166           167           168           169           170 
      1   0.214016D+01  0.217207D+01  0.620736D+00  0.360863D+01  0.316696D+01
      2  -0.219438D+01 -0.107868D+01 -0.148792D+01 -0.668103D+01 -0.127044D+01
      3   0.423622D+00 -0.298726D+00 -0.609641D+00 -0.158226D+01 -0.167007D+01
               171           172           173           174           175 
      1   0.397480D+01 -0.154948D+01 -0.430207D+01  0.687382D+00 -0.267662D+01
      2  -0.293925D+01  0.962225D+01  0.374491D+01 -0.451773D+01  0.403059D+01
      3  -0.180858D+01  0.454764D+01  0.655690D+00 -0.268949D+01  0.374477D+01
               176           177           178           179           180 
      1  -0.399411D+01  0.202765D+00  0.869804D+00  0.265618D+01 -0.460331D+00
      2   0.362769D+01 -0.397216D+01 -0.519840D+01 -0.313969D+01  0.415604D+01
      3   0.103446D+01 -0.189863D+01 -0.251614D+01 -0.421972D+00  0.233286D+01
               181           182           183           184           185 
      1   0.596076D+01  0.358075D+01  0.118764D+01  0.332259D+01  0.181513D+01
      2  -0.175849D+02 -0.387289D+01 -0.386889D+01 -0.548780D+01 -0.259830D+01
      3  -0.266113D+01 -0.145348D+01 -0.134032D+01  0.110379D+01 -0.219008D+00
               186           187           188           189           190 
      1   0.861969D+00  0.226438D+01  0.268339D+01  0.261616D+01 -0.634512D+00
      2  -0.652222D+00 -0.733715D+01 -0.117497D+01 -0.498626D+01 -0.728270D+00
      3   0.198258D+00 -0.850017D+00 -0.589688D+00 -0.463529D+00 -0.826552D+00
               191           192           193           194           195 
      1  -0.816536D+00 -0.523111D+00 -0.181069D+01 -0.161447D+02  0.105524D+01
      2   0.137366D+01 -0.416201D+00  0.265392D+01 -0.207279D+01  0.272383D+01
      3  -0.449353D+00 -0.600772D+00  0.287008D+01 -0.964089D+01  0.368065D+01
               196           197           198           199           200 
      1  -0.437658D-01  0.296867D+01 -0.197609D+01  0.560320D+01 -0.439376D+01
      2  -0.150786D+01  0.985559D+00 -0.434807D+00  0.630558D+01 -0.199581D+01
      3  -0.460159D+00  0.139271D+01 -0.120657D+01  0.449880D+01 -0.421094D+01
               201           202           203           204           205 
      1  -0.407255D+01 -0.309813D+01  0.246173D+01  0.305455D+01 -0.348868D+01
      2  -0.269015D+00 -0.317602D+01  0.290332D+00 -0.111313D+01 -0.448169D+01
      3  -0.346069D+01 -0.163971D+01  0.198310D+01  0.237124D+01 -0.245590D+01
               206           207           208           209           210 
      1   0.376051D+01  0.509020D+01 -0.204494D+01  0.191001D+00 -0.139301D+01
      2  -0.382992D-01  0.141849D+00  0.307749D+01  0.747605D+00  0.419930D+01
      3   0.212360D+01  0.339707D+01  0.246392D+01 -0.123936D+01  0.126707D+01
               211           212           213           214           215 
      1  -0.465835D-01 -0.100591D+01  0.971063D+00 -0.156441D+01  0.391435D+01
      2   0.132944D+01  0.254930D+01 -0.313106D+01  0.200423D+01 -0.250543D+01
      3  -0.757857D+00  0.660072D-01 -0.247936D+01  0.842074D+00 -0.372934D+01
               216           217           218           219           220 
      1  -0.861539D+01  0.230916D+01 -0.600419D+00 -0.139289D+01 -0.312327D+00
      2   0.206838D+02 -0.942272D+01  0.131657D+01  0.831953D+01  0.257321D+01
      3   0.403723D+01  0.120137D+02 -0.624018D+01 -0.350862D+01 -0.570952D+01
               221           222           223           224           225 
      1   0.893780D+00 -0.290584D+00 -0.204263D+01  0.120262D+01  0.821013D+00
      2  -0.233514D+01 -0.371333D+01  0.630391D+01 -0.148931D+01 -0.579559D+01
      3   0.284983D+01  0.240661D+01 -0.450422D+01  0.392034D+01  0.385467D+01
               226           227           228           229           230 
      1   0.920540D+00  0.358742D+00 -0.107738D+00  0.549779D+00  0.385680D+01
      2  -0.138443D+01 -0.460937D+00  0.130069D+01 -0.209710D+00 -0.172860D+01
      3  -0.234478D+01 -0.157166D+01 -0.524230D+00 -0.241325D+01 -0.244153D+02
               231           232           233           234 
      1  -0.438664D+01 -0.508055D+00 -0.350513D+00  0.348129D+00
      2   0.339880D+01  0.102747D+01  0.211597D+01  0.255359D+00
      3   0.101460D+01 -0.960899D+00  0.157388D+01 -0.189848D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.141262D+02  0.315721D+01 -0.226156D+01  0.515769D+01 -0.257459D+02
      2   0.911920D+01 -0.765802D+00  0.229148D+01  0.166346D+01  0.311813D+02
      3   0.500701D+01 -0.239141D+01 -0.299183D-01 -0.682115D+01 -0.543546D+01
      4  -0.668569D+01 -0.178576D+00 -0.117121D+02 -0.321089D+01  0.497153D+02
      5  -0.161137D+02 -0.782839D+01 -0.555501D+01 -0.112147D+02  0.484220D+01
      6  -0.582117D+01 -0.765138D+01 -0.551253D+01 -0.474414D+01  0.663459D+01
                 6             7             8             9            10 
      1  -0.121837D+02 -0.432073D+01 -0.137599D+02 -0.178269D+02  0.106933D+01
      2   0.916512D+01  0.237242D+01  0.205195D+01  0.230703D+01  0.329144D+01
      3   0.301860D+01  0.194831D+01  0.117080D+02  0.155199D+02 -0.436077D+01
      4   0.437376D+01 -0.186816D+02  0.216248D+01  0.106966D+02 -0.135928D+01
      5   0.566877D+01 -0.467831D+01  0.716822D+01  0.880585D+01  0.200731D+01
      6   0.733421D+01 -0.363306D+01  0.110588D+02  0.549683D+01  0.274233D+01
                11            12            13            14            15 
      1  -0.358358D+01 -0.103527D+02  0.193684D+01  0.381329D+02  0.217812D+01
      2  -0.515610D+01  0.998207D+01 -0.678735D+01 -0.579079D+02  0.725378D+01
      3   0.873968D+01  0.370585D+00  0.485051D+01  0.197750D+02 -0.943189D+01
      4   0.496983D+01  0.498458D+01  0.720799D+01 -0.187092D+02  0.470105D+01
      5   0.207705D+01 -0.622780D+00  0.279008D+01  0.264048D+00  0.230051D+01
      6   0.149812D+02  0.129257D+02  0.700890D+01  0.487249D+01 -0.648473D+01
                16            17            18            19            20 
      1  -0.969442D+01 -0.789481D+00  0.204954D+02  0.141976D+02 -0.612574D+00
      2   0.667979D+01  0.215891D+02 -0.682308D+01 -0.114684D+02 -0.226702D+01
      3   0.301463D+01 -0.207997D+02 -0.136723D+02 -0.272920D+01  0.287959D+01
      4   0.450392D+01  0.915260D+01  0.382856D+01 -0.476315D+01  0.582963D+01
      5   0.445183D+00  0.463069D+01  0.573330D+01  0.470059D+00  0.715447D+01
      6   0.120026D+02 -0.185873D+02 -0.256647D+02 -0.295106D+01 -0.548782D+01
                21            22            23            24            25 
      1   0.371888D+01  0.991413D+00  0.108776D+02  0.108486D+02 -0.213956D+01
      2  -0.267120D+01 -0.196882D+01 -0.804006D+01 -0.188651D+01 -0.369949D+00
      3  -0.104768D+01  0.977411D+00 -0.283755D+01 -0.896212D+01  0.250951D+01
      4   0.475237D+01  0.982906D-01 -0.513282D+02 -0.146165D+02 -0.113966D+01
      5   0.541289D+01  0.404168D+01 -0.102579D+02 -0.102404D+02  0.118085D+02
      6  -0.243655D+00 -0.142681D+01 -0.815675D+01 -0.108334D+01 -0.359190D+00
                26            27            28            29            30 
      1   0.101165D+02  0.107615D+02 -0.327518D+02 -0.224083D+01 -0.155419D+02
      2  -0.962536D+01 -0.121030D+02  0.250436D+02 -0.570526D+01  0.989249D+01
      3  -0.491121D+00  0.134156D+01  0.770817D+01  0.794610D+01  0.564941D+01
      4  -0.158912D+02 -0.125030D+02 -0.358125D+01  0.259794D+01 -0.101379D+02
      5  -0.998316D+01 -0.141598D+02 -0.110558D+02 -0.139656D+02 -0.160675D+02
      6   0.354944D+01 -0.554307D+01  0.235843D+01  0.793487D+01  0.650688D+01
                31            32            33            34            35 
      1  -0.156991D+02  0.130570D+02 -0.168700D+02 -0.175135D+02 -0.201714D+02
      2   0.657704D+01 -0.245969D+02  0.160483D+02  0.745834D+01  0.233855D+02
      3   0.912203D+01  0.115399D+02  0.821648D+00  0.100552D+02 -0.321415D+01
      4  -0.231159D+01  0.363158D+02  0.195139D+01 -0.116396D+02  0.590651D+00
      5  -0.134527D+02 -0.427288D+01  0.104605D+02 -0.258067D+02  0.235996D+02
      6   0.331227D+01  0.116986D+02 -0.790479D+01  0.117332D+02 -0.162367D+02
                36            37            38            39            40 
      1  -0.131356D+02 -0.111719D+02 -0.388770D+01  0.135854D+01 -0.110866D+02
      2   0.100206D+02  0.764635D+01  0.318431D+01 -0.222687D+01  0.704506D+00
      3   0.311495D+01  0.352553D+01  0.703394D+00  0.868337D+00  0.103820D+02
      4   0.207682D+02  0.506845D+01  0.257002D+01  0.515438D+01  0.123117D+01
      5   0.299225D+02  0.412732D+01  0.234608D+00  0.271890D+00 -0.581158D+00
      6  -0.158644D+02  0.674621D+01  0.656538D+00  0.247676D+01 -0.526875D+00
                41            42            43            44            45 
      1   0.187674D+02  0.361992D+01  0.725572D+01  0.944403D+01  0.113880D+01
      2  -0.109059D+02 -0.903152D+01 -0.226381D+01 -0.115469D+02  0.374878D+01
      3  -0.786151D+01  0.541160D+01 -0.499192D+01  0.210288D+01 -0.488758D+01
      4  -0.564449D+01 -0.113859D+01  0.849194D+01 -0.294614D+00  0.151305D+01
      5   0.126042D+01  0.430764D+01 -0.370186D+01  0.157739D+01 -0.260863D+00
      6  -0.118643D+02 -0.162737D+02 -0.707291D+00 -0.993271D+01  0.366173D+01
                46            47            48            49            50 
      1  -0.331972D+00 -0.753656D+01 -0.128480D+02 -0.917570D+01 -0.217242D+01
      2  -0.594866D+01  0.170733D+01  0.956111D+01  0.667491D+01  0.113487D+01
      3   0.628063D+01  0.582923D+01  0.328688D+01  0.250079D+01  0.103755D+01
      4  -0.126324D+02  0.202236D+01 -0.856054D+01  0.421805D+01  0.173084D+02
      5  -0.148486D+02 -0.407484D+01  0.607681D+01  0.446675D+00 -0.583414D+01
      6  -0.920076D+01 -0.123539D+00  0.216460D+01 -0.221127D+00 -0.346448D+01
                51            52            53            54            55 
      1  -0.515712D+01 -0.178285D+02 -0.770220D+01  0.928041D+01 -0.792502D+01
      2  -0.698949D+00  0.998914D+01  0.348213D+01 -0.436881D+01 -0.603624D+01
      3   0.585607D+01  0.783935D+01  0.422008D+01 -0.491160D+01  0.139613D+02
      4  -0.755488D+01 -0.799058D+01 -0.759009D+01  0.227639D+01  0.198498D+02
      5  -0.356856D+01  0.809723D+01 -0.102779D+01  0.429608D+01  0.325777D-01
      6   0.532157D+01  0.499763D+01 -0.411432D+00  0.245439D+01  0.107272D+01
                56            57            58            59            60 
      1   0.581663D+01  0.324287D+01  0.383836D+01 -0.128702D+02  0.324566D+01
      2   0.573216D+01 -0.976109D+01  0.394804D+01  0.999688D+01 -0.203618D+01
      3  -0.115488D+02  0.651822D+01 -0.778640D+01  0.287335D+01 -0.120948D+01
      4  -0.227797D+02  0.183937D+01 -0.209868D+02  0.554060D+01  0.281302D+01
      5   0.212118D+01  0.692572D+00 -0.718583D+00  0.222990D+01  0.279786D+00
      6  -0.917700D+01 -0.534529D+01 -0.629755D+01  0.282133D+01  0.253941D-01
                61            62            63            64            65 
      1   0.111742D+01  0.591797D+01  0.151083D+01  0.669025D+01  0.808466D+01
      2  -0.624057D+01 -0.725612D+01  0.797031D+01  0.661510D+01  0.175923D+01
      3   0.512315D+01  0.133815D+01 -0.948114D+01 -0.133053D+02 -0.984389D+01
      4   0.386485D+01  0.389992D+01 -0.771474D+01 -0.448220D+01 -0.118492D+00
      5   0.262581D+01 -0.224658D+01 -0.162670D+01 -0.333383D+01  0.321724D+01
      6  -0.546268D+01  0.482985D+01  0.660470D+01  0.636182D+01  0.133890D+02
                66            67            68            69            70 
      1  -0.300490D+01  0.112673D+02 -0.319557D+01 -0.135597D+01  0.368610D+00
      2   0.141223D+02  0.430217D+01 -0.223339D+01 -0.144726D+01  0.111341D+02
      3  -0.111174D+02 -0.155695D+02  0.542896D+01  0.280323D+01 -0.115027D+02
      4   0.220860D+01  0.259806D+01 -0.304277D+01  0.825518D+01 -0.231918D+01
      5  -0.176165D+02  0.131495D+01  0.566697D+01 -0.131343D+02 -0.132279D+02
      6  -0.101961D+02  0.126832D+02 -0.513024D+01  0.530148D+01 -0.467214D+01
                71            72            73            74            75 
      1  -0.565738D+01 -0.469561D+01  0.342349D+02  0.977680D+01  0.103697D+02
      2   0.377572D+01 -0.141947D+01 -0.188113D+02 -0.447989D+01 -0.893685D+01
      3   0.188167D+01  0.611508D+01 -0.154237D+02 -0.529691D+01 -0.143283D+01
      4   0.452224D+01 -0.267034D+00  0.270236D+02  0.145546D+02  0.113432D+02
      5  -0.628459D+01 -0.460692D+01  0.230661D+02  0.881064D+01  0.162220D+02
      6   0.137076D+00  0.631747D+00  0.779661D+01  0.499294D+01  0.561695D+01
                76            77            78            79            80 
      1   0.477051D+01  0.917643D+00 -0.359410D+00  0.108307D+02  0.295030D+01
      2  -0.451550D+00  0.233766D+01  0.495096D+00 -0.820505D+01  0.608597D+00
      3  -0.431896D+01 -0.325531D+01 -0.135685D+00 -0.262563D+01 -0.355889D+01
      4   0.135233D+02  0.125778D+02  0.859082D+01  0.130766D+02  0.118650D+02
      5   0.619585D+01  0.778535D+01  0.622470D+01  0.150866D+02  0.549382D+01
      6   0.493357D+01  0.656664D+01  0.552146D+01  0.614158D+01  0.472571D+01
                81            82            83            84            85 
      1   0.539513D+01 -0.154175D+01 -0.459167D+01  0.542674D+00 -0.241768D+01
      2  -0.574314D+01  0.741969D+01  0.121348D+02 -0.823351D+00  0.801882D+01
      3   0.348005D+00 -0.587794D+01 -0.754314D+01  0.280677D+00 -0.560114D+01
      4   0.823044D+01  0.609022D+01  0.141722D+02 -0.190360D+01  0.824592D+01
      5   0.113604D+02 -0.250170D+00  0.196244D+00  0.206357D+01 -0.183061D+00
      6   0.537221D+01 -0.188021D+01 -0.135095D+01 -0.145754D+00 -0.626332D+00
                86            87            88            89            90 
      1  -0.448316D+02  0.260977D+01  0.137262D+01  0.112970D+02 -0.795495D+01
      2   0.813807D+02 -0.677011D+01 -0.226137D+01 -0.228758D+02  0.912336D+01
      3  -0.365491D+02  0.416034D+01  0.888745D+00  0.115787D+02 -0.116841D+01
      4   0.202140D+02 -0.216601D+01 -0.331231D+01 -0.585031D+01  0.246502D+01
      5  -0.646481D-01  0.688802D+00  0.149322D+01  0.116862D+01 -0.145102D+01
      6  -0.558328D+01  0.827571D+01 -0.222957D+00  0.148097D+02 -0.266584D+01
                91            92            93            94            95 
      1  -0.232169D+01  0.337310D+01  0.543005D+01  0.157336D+01 -0.144792D+02
      2  -0.147528D+01 -0.172885D+01 -0.218405D+01 -0.145981D+01  0.153180D+02
      3   0.379697D+01 -0.164425D+01 -0.324600D+01 -0.113550D+00 -0.838792D+00
      4  -0.343110D+01  0.482356D+01  0.500447D+01  0.137890D+01  0.110692D+01
      5  -0.306914D+01  0.327732D+01  0.679240D+01  0.737089D+00 -0.998215D+00
      6   0.615858D+01 -0.658276D+01 -0.814481D+01 -0.354364D+01  0.117342D+02
                96            97            98            99           100 
      1  -0.879347D+01  0.669431D+01 -0.167064D+02 -0.269742D+02  0.685218D+02
      2   0.670302D+01 -0.144803D+01  0.683295D+01  0.104767D+01 -0.383481D+02
      3   0.209045D+01 -0.524628D+01  0.987342D+01  0.259265D+02 -0.301737D+02
      4  -0.136706D+01  0.354179D+01 -0.194008D+01 -0.204066D+01 -0.950606D+01
      5  -0.990407D+00  0.553742D+01 -0.244787D+01 -0.380065D+01  0.169912D+02
      6   0.135747D+02 -0.732269D+01  0.254233D+02  0.382936D+02 -0.539979D+01
               101           102           103           104           105 
      1   0.243451D+01  0.157645D+02  0.193919D+02  0.485044D+01  0.471840D+01
      2  -0.283067D+01 -0.976218D+01 -0.118041D+02 -0.180684D+01 -0.439902D+01
      3   0.396154D+00 -0.600230D+01 -0.758778D+01 -0.304359D+01 -0.319381D+00
      4   0.742916D+01 -0.207083D+01  0.555693D+01  0.330615D+01  0.298949D+01
      5   0.318698D+00  0.139471D+02  0.452915D+01  0.360640D+01  0.364297D+01
      6  -0.650629D-01 -0.451821D+01 -0.510285D+00 -0.113849D+01  0.849788D+00
               106           107           108           109           110 
      1   0.243812D+02  0.109868D+01  0.122860D+02  0.145696D+02 -0.520292D+01
      2  -0.151481D+02 -0.306706D+01 -0.995881D+01 -0.103086D+02  0.343026D+01
      3  -0.923318D+01  0.196838D+01 -0.232716D+01 -0.426102D+01  0.177266D+01
      4  -0.438364D+01  0.490961D+01 -0.298926D+01 -0.913475D+01  0.584336D+01
      5   0.180145D+02 -0.104091D+01  0.992911D+01 -0.129581D+02  0.787290D+01
      6  -0.468551D+01  0.243395D+01 -0.193544D+01  0.547379D+01 -0.384743D+01
               111           112           113           114           115 
      1  -0.826077D+01 -0.127820D+01 -0.852081D+00  0.151132D+01 -0.144580D+02
      2   0.558215D+01 -0.773969D+00  0.501419D+01  0.373894D+00  0.109529D+02
      3   0.267862D+01  0.205217D+01 -0.416211D+01 -0.188522D+01  0.350509D+01
      4   0.870386D+01  0.104740D+02 -0.166207D+02 -0.103321D+02  0.184304D+02
      5   0.153295D+02  0.684342D+01 -0.943041D+01 -0.979296D+01  0.258176D+02
      6  -0.558204D+01 -0.459073D+01  0.575629D+01  0.991613D+01 -0.111223D+02
               116           117           118           119           120 
      1   0.594194D+01  0.388999D+01 -0.200838D+01 -0.913509D+01  0.453523D+01
      2  -0.432342D+01 -0.136534D+02  0.275538D+01  0.105078D+02 -0.265913D+01
      3  -0.161852D+01  0.976346D+01 -0.746996D+00 -0.137269D+01 -0.187610D+01
      4  -0.186468D+02 -0.194493D+02 -0.210376D+00 -0.146879D+01 -0.304094D+00
      5  -0.211425D+02 -0.449563D+02  0.240528D+01  0.137675D+01  0.122779D+01
      6   0.155968D+02  0.240692D+02 -0.239969D+01 -0.287465D+01  0.133624D+01
               121           122           123           124           125 
      1  -0.688675D+01 -0.219794D+02  0.767252D+01  0.534118D+01  0.978382D+01
      2   0.585474D+00  0.438271D+02 -0.977929D+01 -0.136178D+01 -0.148165D+02
      3   0.630128D+01 -0.218477D+02  0.210677D+01 -0.397939D+01  0.503265D+01
      4   0.134386D+02 -0.431102D+02  0.699817D+01 -0.359484D+01  0.128744D+02
      5   0.354214D+00  0.100915D+02 -0.834092D+01  0.581538D+01 -0.127166D+02
      6   0.165526D+01 -0.152600D+02  0.969225D+01 -0.289372D+01  0.146566D+02
               126           127           128           129           130 
      1  -0.431017D+01 -0.795978D-01 -0.707602D+00 -0.204962D+00  0.629137D+00
      2   0.474958D+01  0.243539D+01  0.334518D+00  0.346454D+00 -0.154018D+01
      3  -0.439406D+00 -0.235579D+01  0.373084D+00 -0.141492D+00  0.911043D+00
      4  -0.994786D+01 -0.725831D+00  0.739247D+01  0.214557D+01  0.682215D+01
      5   0.259525D+01 -0.990393D+00  0.336416D+01  0.349362D+01  0.317438D+01
      6  -0.592322D+01  0.440186D+01 -0.426319D+00  0.594492D+00 -0.289614D+01
               131           132           133           134           135 
      1  -0.212745D+02 -0.100221D+02  0.411615D+00 -0.872075D+01 -0.101590D+02
      2   0.259038D+02  0.769769D+01  0.315690D+00  0.576900D+01  0.210054D+01
      3  -0.462928D+01  0.232440D+01 -0.727305D+00  0.295174D+01  0.805845D+01
      4  -0.176602D+01 -0.120494D+01  0.185337D+01 -0.121298D+01  0.131067D+00
      5  -0.197802D+01 -0.106579D+01  0.284447D+01 -0.876577D+00 -0.182972D+01
      6   0.245517D+02  0.157204D+02 -0.962037D+00  0.147194D+02  0.114258D+02
               136           137           138           139           140 
      1   0.559570D+01  0.634172D+01  0.979068D+01  0.855428D+01  0.124321D+02
      2   0.150521D+02 -0.514045D+01 -0.101640D+02 -0.932692D+01 -0.174318D+02
      3  -0.206478D+02 -0.120126D+01  0.373365D+00  0.772646D+00  0.499966D+01
      4   0.889146D+01  0.243133D+01  0.214731D+01  0.454592D+00 -0.142502D+02
      5   0.120663D+02 -0.778240D+01 -0.198209D+02 -0.114147D+02  0.552342D+01
      6  -0.546793D+01  0.274643D+01  0.313072D+01  0.487553D+01  0.257184D+02
               141           142           143           144           145 
      1  -0.174339D+01  0.932091D+01  0.178769D+01 -0.136012D+02 -0.148126D+02
      2   0.149539D+02 -0.843775D+01  0.881671D+01  0.183330D+01  0.123800D+02
      3  -0.132105D+02 -0.883166D+00 -0.106044D+02  0.117679D+02  0.243257D+01
      4   0.625945D+01  0.373072D+01  0.433586D+01  0.145906D+01  0.196567D+02
      5   0.801223D+01 -0.189621D+02  0.445460D+01  0.297763D+01  0.233208D+02
      6  -0.855464D+01  0.111919D+01 -0.273090D+01 -0.111000D+02  0.693219D+01
               146           147           148           149           150 
      1   0.169625D+02  0.227411D+02  0.270155D+02  0.109716D+02 -0.308337D+01
      2  -0.102193D+02 -0.103028D+02 -0.199377D+02 -0.255204D+02  0.316530D+01
      3  -0.674328D+01 -0.124382D+02 -0.707774D+01  0.145488D+02 -0.819348D-01
      4   0.230583D+01  0.372419D+01 -0.411389D+01 -0.319207D+02  0.622835D+01
      5   0.142151D+01 -0.898647D+01 -0.937808D+00  0.559204D+01  0.915008D+01
      6   0.777591D+00 -0.193219D+01  0.146233D+00 -0.870123D+00  0.295462D+01
               151           152           153           154           155 
      1   0.276356D+02 -0.171028D+01 -0.116636D+02  0.210259D+02 -0.805869D+01
      2  -0.112398D+02  0.268759D+01  0.142300D+02  0.416697D+00 -0.751318D+01
      3  -0.163959D+02 -0.977305D+00 -0.256643D+01 -0.214426D+02  0.155719D+02
      4   0.315281D+01  0.641237D+01  0.571110D+01 -0.326686D+02  0.275177D+02
      5  -0.135138D+02  0.739880D+01 -0.230330D+02  0.291017D+01 -0.251381D+01
      6  -0.330287D+01  0.355154D+01 -0.698461D+01 -0.322429D+01  0.340185D+01
               156           157           158           159           160 
      1  -0.564960D+00 -0.390392D+01 -0.745645D-01 -0.250035D-01 -0.677218D+00
      2   0.955755D+00 -0.920141D+01  0.167929D+02  0.794253D+00  0.603840D+00
      3  -0.390795D+00  0.131053D+02 -0.167183D+02 -0.769249D+00  0.733787D-01
      4  -0.971024D+00  0.233555D+02 -0.256159D+02  0.292354D+00 -0.453036D+00
      5   0.534094D+01 -0.186746D+01  0.144695D+01 -0.222053D+01  0.595811D+01
      6  -0.310440D+01  0.274223D+01 -0.317404D+01  0.469235D+01 -0.411014D+01
               161           162           163           164           165 
      1   0.163817D-03  0.302236D+00  0.271820D+01  0.114078D+01 -0.403413D+01
      2   0.147983D+01  0.578586D+00 -0.130401D+02 -0.203822D+01 -0.141258D+02
      3  -0.147999D+01 -0.880822D+00  0.103219D+02  0.897434D+00  0.181600D+02
      4  -0.267217D+00 -0.534756D+01 -0.127128D+01  0.362192D+01 -0.224033D+01
      5  -0.405233D+01  0.439103D+00  0.185004D+02  0.543671D+00  0.191188D+02
      6   0.615017D+01 -0.218258D+01 -0.357804D+01  0.267517D+01 -0.376006D+01
               166           167           168           169           170 
      1  -0.919471D+00 -0.696005D+00 -0.138105D+01 -0.288160D+01  0.452062D+00
      2  -0.236287D+01 -0.256304D+01 -0.316087D+01 -0.118876D+02 -0.131540D+01
      3   0.328235D+01  0.325905D+01  0.454192D+01  0.147692D+02  0.863341D+00
      4   0.306990D+01  0.551240D+00  0.162647D+01 -0.133580D+01  0.183822D+01
      5   0.150627D+01  0.355600D+01  0.272845D+01  0.164371D+02  0.154938D+01
      6   0.237984D+01  0.133018D+01  0.540770D+01 -0.194311D+01  0.480499D+01
               171           172           173           174           175 
      1  -0.131066D+02 -0.270833D+01 -0.575583D+01  0.839103D+01 -0.451286D+01
      2  -0.207611D+02 -0.352515D+01  0.103214D+01  0.333783D+01  0.719234D+00
      3   0.338677D+02  0.623347D+01  0.472369D+01 -0.117289D+02  0.379363D+01
      4  -0.187741D+01  0.628530D+01  0.521007D+01 -0.546523D+01  0.471513D+01
      5   0.216201D+02 -0.132196D+02 -0.644916D+01  0.137064D+02 -0.578025D+01
      6  -0.563277D+01 -0.939333D+01 -0.109204D+02  0.122586D+02 -0.848610D+01
               176           177           178           179           180 
      1  -0.878080D+01  0.895445D+01  0.450895D+01  0.688521D+01 -0.123529D+02
      2   0.643052D+01 -0.504437D+00  0.196426D+01  0.436688D+00 -0.670081D+01
      3   0.235027D+01 -0.845002D+01 -0.647321D+01 -0.732190D+01  0.190537D+02
      4   0.394380D+01 -0.368564D+01 -0.251495D+01 -0.273942D+01  0.330872D+01
      5  -0.587279D+01  0.625065D+01  0.941768D+01  0.462974D+01 -0.892156D+01
      6  -0.130952D+02  0.135931D+02  0.675368D+01  0.982478D+01 -0.147728D+02
               181           182           183           184           185 
      1  -0.449723D+01 -0.318380D+00 -0.105700D+02 -0.206334D+01 -0.326117D+01
      2  -0.487974D+01 -0.352654D+00 -0.502030D+01  0.793779D+00  0.198294D+01
      3   0.937698D+01  0.671034D+00  0.155903D+02  0.126956D+01  0.127823D+01
      4  -0.743105D+01 -0.536271D+00 -0.234839D+01 -0.719873D+00  0.843324D-02
      5   0.120806D+02  0.259514D+01  0.640419D+01  0.426258D+01  0.120042D+01
      6   0.209318D+01  0.417014D+01 -0.280223D+01  0.282934D+01  0.547519D-01
               186           187           188           189           190 
      1  -0.290407D+01 -0.665442D+01 -0.147134D+01 -0.778901D+01 -0.108348D+01
      2  -0.385151D+01 -0.368752D+01 -0.178727D+01 -0.676451D+01  0.764642D+00
      3   0.675557D+01  0.103419D+02  0.325861D+01  0.145535D+02  0.318842D+00
      4  -0.729520D+00 -0.243687D+01  0.143344D+00 -0.293624D+01  0.260843D+01
      5  -0.123332D+01  0.859007D+01  0.270033D+00  0.560243D+01 -0.318791D+01
      6   0.276293D+01 -0.254391D+00  0.303812D+01  0.109210D+01 -0.346452D+01
               191           192           193           194           195 
      1   0.190280D+01 -0.136519D+01  0.327339D+00 -0.211851D+02  0.113554D+02
      2  -0.458203D+00  0.181253D+01  0.193333D+01  0.303404D+02 -0.625455D+01
      3  -0.144459D+01 -0.447333D+00 -0.226067D+01 -0.915534D+01 -0.510084D+01
      4   0.672904D+01 -0.239099D+01  0.841041D+01  0.177531D+02 -0.644854D+01
      5  -0.344131D+01  0.551626D+01 -0.441206D+01 -0.608101D+01  0.508680D+01
      6  -0.175788D+01  0.619609D+00 -0.440096D+01 -0.354260D+02  0.191611D+02
               196           197           198           199           200 
      1  -0.334867D+00  0.540023D+01 -0.468122D+01  0.145116D+02 -0.301193D+01
      2   0.128180D+01 -0.956598D+00  0.155675D+01 -0.201498D+02  0.360528D+01
      3  -0.946931D+00 -0.444363D+01  0.312447D+01  0.563821D+01 -0.593351D+00
      4  -0.891295D+00 -0.232627D+01  0.302462D+01 -0.106344D+01  0.485736D+01
      5   0.395192D+01  0.248922D+01 -0.287542D+01 -0.284939D+02  0.480918D+01
      6   0.107226D+01  0.110922D+02 -0.745807D+01  0.357948D+01 -0.607100D+01
               201           202           203           204           205 
      1  -0.373660D+01 -0.479118D+01 -0.412689D-01 -0.241340D+00 -0.223817D+01
      2   0.164878D+02  0.682496D+01 -0.131045D+01 -0.812960D+01  0.123971D+02
      3  -0.127513D+02 -0.203378D+01  0.135172D+01  0.837094D+01 -0.101589D+02
      4  -0.469050D-01  0.459718D+01 -0.255714D+01 -0.444420D+01 -0.513533D+00
      5   0.257832D+02  0.105349D+02 -0.697604D+01 -0.101249D+02  0.198535D+02
      6  -0.961704D+00 -0.587235D+01  0.219237D+01  0.665271D+01 -0.162761D+01
               206           207           208           209           210 
      1  -0.250883D+00 -0.204638D+01  0.765953D+01 -0.266425D+01  0.583134D+01
      2  -0.383313D+01 -0.171253D+02 -0.757637D+01  0.148655D+01 -0.616524D+01
      3   0.408402D+01  0.191717D+02 -0.831541D-01  0.117770D+01  0.333899D+00
      4  -0.275413D+01 -0.117973D+01 -0.148255D+01  0.110464D+01  0.885220D+00
      5  -0.406822D+01 -0.226453D+02  0.821598D+01 -0.615957D+00  0.131808D+02
      6   0.512975D+01  0.246198D+01  0.112918D+01  0.399179D+00  0.210373D+01
               211           212           213           214           215 
      1  -0.684920D+01 -0.112839D+01 -0.905520D+00  0.104920D+02  0.975173D+00
      2   0.445237D+01  0.132570D+01  0.209059D+01 -0.905955D+01  0.151373D+01
      3   0.239683D+01 -0.197308D+00 -0.118507D+01 -0.143244D+01 -0.248890D+01
      4   0.233718D+01  0.122362D+01  0.429548D+01  0.407885D+01  0.647098D+01
      5  -0.167246D+01  0.382770D+01 -0.407447D+01  0.187154D+02 -0.918270D+00
      6   0.789389D+00  0.816406D-01  0.299918D+01  0.454038D+01  0.396850D+01
               216           217           218           219           220 
      1   0.314345D+01  0.620128D+02 -0.723891D+01 -0.158388D+02 -0.215114D+02
      2  -0.167047D+02 -0.335302D+02  0.507565D+01  0.886922D+01  0.125523D+02
      3   0.135613D+02 -0.284826D+02  0.216327D+01  0.696956D+01  0.895914D+01
      4   0.133933D+00 -0.915656D+00  0.807919D+01  0.460097D+00  0.974099D+01
      5   0.372936D+02 -0.159758D+02  0.161199D+01  0.124544D+02  0.433246D+01
      6   0.106904D+02 -0.356260D+01  0.158713D+00  0.266340D+01 -0.168901D-01
               221           222           223           224           225 
      1   0.614628D+01  0.401477D+01 -0.265263D+02  0.131813D+01  0.119442D+02
      2  -0.918152D+00 -0.294908D+01  0.147578D+02 -0.189027D+01 -0.976743D+01
      3  -0.522813D+01 -0.106570D+01  0.117685D+02  0.572145D+00 -0.217680D+01
      4  -0.278748D+01 -0.413621D+01 -0.128818D+01 -0.613619D+01 -0.183964D+01
      5  -0.385964D+01 -0.582670D+01  0.164120D+02 -0.260202D+01 -0.108169D+02
      6   0.240718D+00  0.351539D+00  0.265444D+01  0.622502D+00 -0.136442D+01
               226           227           228           229           230 
      1   0.422361D+01  0.544088D+01 -0.261922D+01  0.569926D+01 -0.125463D+02
      2   0.132273D+01 -0.127701D+01  0.130531D+01  0.574943D+01  0.381907D+02
      3  -0.554634D+01 -0.416387D+01  0.131391D+01 -0.114487D+02 -0.256443D+02
      4   0.578459D+01  0.946168D+01 -0.576938D+00  0.211219D+02  0.477017D+02
      5  -0.231238D+01  0.292980D+00  0.183565D+01  0.117132D+01 -0.126766D+01
      6  -0.502990D+00  0.525909D-01 -0.148749D+00  0.118883D+01  0.353341D+01
               231           232           233           234 
      1   0.121369D+01 -0.472011D+01  0.488229D+00 -0.651785D+00
      2  -0.167638D+01  0.144721D+01 -0.221864D+01  0.182604D+01
      3   0.462691D+00  0.327290D+01  0.173041D+01 -0.117426D+01
      4  -0.116604D+01 -0.223026D+01 -0.352844D+01  0.454571D+01
      5   0.581135D+01  0.422202D+01  0.489122D+01  0.793500D+00
      6   0.639455D+01  0.218051D+01  0.621804D+01 -0.538495D+00
 Leave Link  716 at Fri Jul 23 14:26:19 2021, MaxMem= 10737418240 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.121253D+03 -0.861663D-01  0.384705D+00
      2  -0.861663D-01  0.118442D+03  0.462431D+01
      3   0.384705D+00  0.462431D+01  0.106202D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.223237D+00  0.284077D+01  0.443255D+01
      2   0.374626D+01  0.153182D+02 -0.330303D+01
      3   0.727752D+01 -0.222878D+02 -0.142257D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.112126D+02 -0.362465D+02  0.197939D+01
      2   0.549528D+01  0.184014D+02  0.756512D+01
      3  -0.167079D+02  0.178451D+02 -0.954451D+01
      4  -0.364134D+02  0.335215D+02  0.264235D+02
      5   0.140403D+02  0.237863D+02 -0.193620D+02
      6   0.979453D+01  0.184126D+02  0.105252D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.333113D+01  0.956799D-01 -0.164331D+01  0.174130D+01 -0.522729D+00
      2   0.956799D-01 -0.875751D+00 -0.255209D+01 -0.522729D+00  0.153261D+02
      3  -0.164331D+01 -0.255209D+01 -0.205069D+01 -0.198925D+01  0.296699D+01
                 6             7             8             9            10 
      1  -0.198925D+01 -0.133687D+01 -0.293656D+01 -0.177212D+01  0.107455D+01
      2   0.296699D+01 -0.293656D+01  0.208265D+01  0.358686D+01  0.895082D+00
      3   0.289355D+01 -0.177212D+01  0.358686D+01  0.527995D+01  0.633104D+00
                11            12            13            14            15 
      1   0.895082D+00  0.633104D+00  0.158000D+01  0.168456D-02  0.203008D+01
      2   0.737683D+00  0.336049D+01  0.168456D-02 -0.111242D+02  0.695207D+00
      3   0.336049D+01  0.285622D+01  0.203008D+01  0.695207D+00 -0.151191D+01
                16            17            18            19            20 
      1   0.974622D+00  0.296919D+01  0.284976D+01  0.230702D+01 -0.259694D+01
      2   0.296919D+01  0.236159D+01 -0.374939D+01 -0.259694D+01  0.128478D+01
      3   0.284976D+01 -0.374939D+01 -0.573512D+01 -0.388693D+00  0.113448D+01
                21            22            23            24            25 
      1  -0.388693D+00 -0.237894D+01  0.112059D+01  0.128170D+01 -0.923637D+00
      2   0.113448D+01  0.112059D+01 -0.153330D+02 -0.408164D+01  0.586368D+00
      3   0.736278D+00  0.128170D+01 -0.408164D+01 -0.382105D+01  0.144203D+01
                26            27            28            29            30 
      1   0.586368D+00  0.144203D+01 -0.439442D+01 -0.697325D+00 -0.116424D+01
      2  -0.417960D+01 -0.376184D+01 -0.697325D+00 -0.462933D+00 -0.271157D+01
      3  -0.376184D+01 -0.431680D+01 -0.116424D+01 -0.271157D+01 -0.258794D+01
                31            32            33            34            35 
      1  -0.228207D+01 -0.205545D+01 -0.253258D+01 -0.127717D+01 -0.264784D+01
      2  -0.205545D+01  0.939474D+01 -0.357597D+00 -0.264784D+01 -0.846720D+00
      3  -0.253258D+01 -0.357597D+00  0.180635D+01 -0.412100D+01  0.374354D+01
                36            37            38            39            40 
      1  -0.412100D+01  0.437110D+01  0.179120D+01 -0.259485D+01 -0.188167D+01
      2   0.374354D+01  0.179120D+01  0.898223D+00 -0.916222D+00  0.239106D+00
      3   0.465419D+01 -0.259485D+01 -0.916222D+00  0.313797D+01 -0.193138D+01
                41            42            43            44            45 
      1   0.239106D+00 -0.193138D+01 -0.550285D+01 -0.128480D+01  0.262966D+01
      2   0.393589D+01  0.378234D+01 -0.128480D+01  0.337903D+01  0.257602D+00
      3   0.378234D+01 -0.140936D+01  0.262966D+01  0.257602D+00  0.556658D+00
                46            47            48            49            50 
      1  -0.348469D+01  0.123158D+01  0.483963D+01  0.349110D+01 -0.154990D+01
      2   0.123158D+01 -0.116158D+01  0.708620D+00 -0.154990D+01 -0.743550D+01
      3   0.483963D+01  0.708620D+00 -0.172040D+01  0.891332D+00  0.178016D+01
                51            52            53            54            55 
      1   0.891332D+00  0.717394D+01  0.127683D+01 -0.156701D+01  0.233589D+01
      2   0.178016D+01  0.127683D+01  0.216914D+01  0.126812D+01 -0.373748D+01
      3   0.106136D+01 -0.156701D+01  0.126812D+01 -0.234726D+01 -0.148814D+01
                56            57            58            59            60 
      1  -0.373748D+01 -0.148814D+01 -0.379006D+01  0.443638D+01 -0.164661D+01
      2   0.425829D+01 -0.155898D+01  0.443638D+01  0.330510D+01 -0.246392D+01
      3  -0.155898D+01 -0.156376D+01 -0.164661D+01 -0.246392D+01  0.250759D+01
                61            62            63            64            65 
      1  -0.155805D+01 -0.179870D+01 -0.179026D+01  0.190945D+00 -0.755890D+00
      2  -0.179870D+01 -0.293212D+01  0.172884D+01 -0.755890D+00 -0.229447D+01
      3  -0.179026D+01  0.172884D+01  0.339537D+01  0.323238D+01  0.371402D+01
                66            67            68            69            70 
      1   0.323238D+01  0.448228D+00 -0.184928D+01  0.441798D+01  0.305831D+01
      2   0.371402D+01 -0.184928D+01  0.112041D+01 -0.124964D+01  0.284253D+01
      3   0.957683D+00  0.441798D+01 -0.124964D+01 -0.640397D+00  0.120208D+01
                71            72            73            74            75 
      1   0.284253D+01  0.120208D+01  0.779439D+01  0.260529D+01  0.322508D+01
      2  -0.632131D+00 -0.123171D+01  0.260529D+01  0.125381D+01  0.123644D+01
      3  -0.123171D+01 -0.754031D+00  0.322508D+01  0.123644D+01  0.227537D+01
                76            77            78            79            80 
      1   0.192261D+01  0.145580D+01  0.927949D+00  0.332091D+01  0.159051D+01
      2   0.145580D+01  0.211454D+01  0.148484D+01  0.159051D+01  0.188284D+01
      3   0.927949D+00  0.148484D+01  0.127542D+01  0.226720D+01  0.854065D+00
                81            82            83            84            85 
      1   0.226720D+01  0.907540D+00  0.152271D+01 -0.426314D+00  0.137340D+01
      2   0.854065D+00  0.152271D+01  0.212802D+01 -0.334139D+00  0.123606D+01
      3   0.147780D+01 -0.426314D+00 -0.334139D+00 -0.134928D+00 -0.315724D+00
                86            87            88            89            90 
      1   0.123606D+01 -0.315724D+00 -0.800498D+00 -0.692839D+00 -0.957297D-01
      2   0.133501D+02 -0.984465D+00 -0.692839D+00 -0.355227D+01  0.222330D+01
      3  -0.984465D+00  0.106789D+01 -0.957297D-01  0.222330D+01 -0.157789D+00
                91            92            93            94            95 
      1  -0.124638D+01  0.691959D+00  0.142650D+01  0.129034D+00 -0.659419D+00
      2   0.691959D+00 -0.786960D+00 -0.116559D+01 -0.659419D+00  0.358725D+01
      3   0.142650D+01 -0.116559D+01 -0.179284D+01 -0.513407D+00  0.214648D+01
                96            97            98            99           100 
      1  -0.513407D+00  0.155763D+01 -0.130679D+01 -0.166819D+01  0.873106D+01
      2   0.214648D+01 -0.130679D+01  0.339845D+01  0.420755D+01  0.592214D-01
      3   0.174556D+01 -0.166819D+01  0.420755D+01  0.831902D+01  0.213485D+01
               101           102           103           104           105 
      1   0.592214D-01  0.213485D+01  0.275236D+01  0.675470D+00  0.608765D+00
      2   0.714942D+00  0.103821D+00  0.675470D+00  0.385443D+00  0.531688D+00
      3   0.103821D+00  0.158833D+01  0.608765D+00  0.531688D+00  0.440664D+00
               106           107           108           109           110 
      1   0.352195D+01 -0.985165D-01  0.221891D+01  0.232548D+01 -0.893121D+00
      2  -0.985165D-01  0.781509D+00 -0.217367D+00 -0.893121D+00  0.371245D+00
      3   0.221891D+01 -0.217367D+00  0.115611D+01 -0.172037D+01  0.997169D+00
               111           112           113           114           115 
      1  -0.172037D+01 -0.675694D+00  0.161119D+01  0.107011D+01 -0.344629D+01
      2   0.997169D+00  0.161119D+01 -0.314316D+01 -0.162806D+01  0.265858D+01
      3   0.174801D+01  0.107011D+01 -0.162806D+01 -0.162292D+01  0.340805D+01
               116           117           118           119           120 
      1   0.265858D+01  0.340805D+01 -0.488265D+00 -0.519236D+00  0.552571D+00
      2  -0.303325D+01 -0.336520D+01 -0.519236D+00 -0.185639D+01  0.416441D+00
      3  -0.336520D+01 -0.728189D+01  0.552571D+00  0.416441D+00 -0.151892D+00
               121           122           123           124           125 
      1  -0.175784D+01  0.163519D+01  0.322396D+00  0.963046D+00 -0.132473D+00
      2   0.163519D+01 -0.101097D+02  0.175265D+01 -0.132473D+00  0.304480D+01
      3   0.322396D+00  0.175265D+01 -0.148632D+01  0.633001D+00 -0.235978D+01
               126           127           128           129           130 
      1   0.633001D+00  0.470921D+00 -0.123684D+01 -0.187582D+00 -0.164094D+01
      2  -0.235978D+01 -0.123684D+01 -0.196963D+00  0.146269D+00  0.749343D+00
      3   0.725488D+00 -0.187582D+00  0.146269D+00 -0.142310D+00  0.393293D+00
               131           132           133           134           135 
      1   0.749343D+00  0.393293D+00 -0.819329D-01  0.493498D+00  0.104469D+00
      2  -0.766480D+01 -0.320355D+01  0.493498D+00 -0.271688D+01 -0.220276D+01
      3  -0.320355D+01 -0.212080D+01  0.104469D+00 -0.220276D+01 -0.237805D+01
               136           137           138           139           140 
      1  -0.566780D+00 -0.242514D+01 -0.432861D+01 -0.320833D+01  0.913210D+00
      2  -0.242514D+01  0.544710D+00  0.244624D+00  0.913210D+00  0.644604D+01
      3  -0.432861D+01  0.244624D+00  0.134845D+01  0.389742D+00 -0.244452D+01
               141           142           143           144           145 
      1   0.389742D+00 -0.467952D+01  0.387828D-01  0.142129D+01  0.122440D+01
      2  -0.244452D+01  0.387828D-01 -0.143951D+01 -0.183070D+01 -0.285921D+01
      3  -0.193508D+01  0.142129D+01 -0.183070D+01  0.197443D+01 -0.386771D+01
               146           147           148           149           150 
      1  -0.285921D+01 -0.386771D+01 -0.418741D+01  0.139192D+01 -0.197422D+00
      2   0.119881D+00 -0.291649D+00  0.139192D+01  0.700302D+01 -0.104915D+01
      3  -0.291649D+00  0.151123D+01 -0.197422D+00 -0.104915D+01 -0.180748D+01
               151           152           153           154           155 
      1  -0.465916D+01 -0.200480D+00  0.210272D+01 -0.674765D+01  0.425254D+01
      2  -0.200480D+00 -0.121941D+01 -0.157223D+01  0.425254D+01 -0.392186D+01
      3   0.210272D+01 -0.157223D+01  0.449232D+01  0.549320D-01  0.301192D+00
               156           157           158           159           160 
      1   0.549320D-01  0.330938D+01 -0.354599D+01  0.372733D+00  0.216770D+00
      2   0.301192D+00 -0.354599D+01  0.447383D+01  0.782977D-01  0.295002D+00
      3  -0.679500D+00  0.372733D+00  0.782977D-01  0.474243D+00 -0.994802D+00
               161           162           163           164           165 
      1   0.295002D+00 -0.994802D+00 -0.398445D+01 -0.319892D+00 -0.315991D+01
      2   0.237377D+00  0.981288D+00 -0.319892D+00 -0.607256D+00 -0.245346D+00
      3   0.981288D+00 -0.280239D+00 -0.315991D+01 -0.245346D+00 -0.386975D+01
               166           167           168           169           170 
      1  -0.718005D+00 -0.710469D+00 -0.647081D+00 -0.255751D+01 -0.284516D+00
      2  -0.710469D+00 -0.521448D+00 -0.791727D+00 -0.284516D+00 -0.551980D+00
      3  -0.647081D+00 -0.791727D+00 -0.636000D+00 -0.329563D+01 -0.109138D+00
               171           172           173           174           175 
      1  -0.329563D+01  0.324480D+01  0.153527D+01 -0.264486D+01  0.119231D+01
      2  -0.109138D+00  0.153527D+01  0.184165D+01 -0.193777D+01  0.145701D+01
      3  -0.631465D+01 -0.264486D+01 -0.193777D+01  0.317868D+01 -0.153809D+01
               176           177           178           179           180 
      1   0.145701D+01 -0.153809D+01 -0.142446D+01 -0.983109D+00  0.163919D+01
      2   0.242523D+01 -0.194538D+01 -0.983109D+00 -0.113618D+01  0.180714D+01
      3  -0.194538D+01  0.242245D+01  0.163919D+01  0.180714D+01 -0.416601D+01
               181           182           183           184           185 
      1   0.467342D+01  0.100141D+01  0.156685D+01  0.155626D+01  0.706745D+00
      2   0.100141D+01  0.911078D+00 -0.211458D+00  0.706745D+00  0.104011D-01
      3   0.156685D+01 -0.211458D+00  0.276735D+01 -0.466244D-01  0.541388D+00
               186           187           188           189           190 
      1  -0.466244D-01  0.174501D+01  0.104181D+00  0.164421D+01 -0.395473D+00
      2   0.541388D+00  0.104181D+00  0.524534D+00  0.561297D+00 -0.897177D+00
      3   0.126015D+01  0.164421D+01  0.561297D+00  0.217960D+01  0.944679D+00
               191           192           193           194           195 
      1  -0.897177D+00  0.944679D+00 -0.107152D+01 -0.104149D+01  0.364790D+00
      2  -0.356607D+00  0.105351D+00 -0.104149D+01 -0.842909D+01  0.320364D+01
      3   0.105351D+00 -0.476067D+00  0.364790D+00  0.320364D+01 -0.257022D+01
               196           197           198           199           200 
      1   0.427164D+00  0.104057D+00 -0.373979D+00 -0.476305D+01  0.902145D+00
      2   0.104057D+00  0.114406D+01 -0.133860D+01  0.902145D+00 -0.112148D+01
      3  -0.373979D+00 -0.133860D+01  0.972710D+00  0.358283D+01 -0.349826D+00
               201           202           203           204           205 
      1   0.358283D+01  0.192514D+01 -0.111170D+01 -0.118660D+01  0.250407D+01
      2  -0.349826D+00 -0.111170D+01  0.295705D+00  0.121634D+01 -0.408995D+00
      3  -0.386429D+01 -0.118660D+01  0.121634D+01  0.197776D+01 -0.278086D+01
               206           207           208           209           210 
      1  -0.408995D+00 -0.278086D+01 -0.111431D+01  0.544858D+00 -0.128246D+01
      2   0.738709D+00  0.754403D+00  0.544858D+00 -0.390175D-01 -0.416619D-02
      3   0.754403D+00  0.401544D+01 -0.128246D+01 -0.416619D-02 -0.153743D+01
               211           212           213           214           215 
      1   0.114231D+01 -0.314522D+00  0.122837D+00 -0.231171D+01 -0.461736D+00
      2  -0.314522D+00 -0.269736D+00 -0.836572D+00 -0.461736D+00 -0.107599D+01
      3   0.122837D+00 -0.836572D+00  0.739923D+00 -0.240592D+01  0.291481D+00
               216           217           218           219           220 
      1  -0.240592D+01 -0.832988D+01  0.791635D+00  0.226849D+01  0.325512D+01
      2   0.291481D+00  0.791635D+00 -0.955819D+00 -0.238054D+00 -0.133193D+01
      3  -0.677505D+01  0.226849D+01 -0.238054D+00 -0.148161D+01 -0.552931D+00
               221           222           223           224           225 
      1  -0.133193D+01 -0.552931D+00  0.420531D+01  0.286359D-02 -0.210101D+01
      2   0.187398D+00  0.599250D+00  0.286359D-02  0.886105D+00  0.439766D+00
      3   0.599250D+00  0.873599D+00 -0.210101D+01  0.439766D+00  0.142509D+01
               226           227           228           229           230 
      1  -0.805036D+00 -0.982307D+00  0.435165D+00 -0.222607D+01 -0.293681D+01
      2  -0.982307D+00 -0.427235D+00  0.479395D-01 -0.293681D+01 -0.933068D+01
      3   0.435165D+00  0.479395D-01 -0.521696D-01 -0.960146D-01  0.256932D+00
               231           232           233           234 
      1  -0.960146D-01  0.890947D+00  0.274980D+00 -0.596046D+00
      2   0.256932D+00  0.274980D+00  0.685230D+00 -0.966549D+00
      3  -0.984972D+00 -0.596046D+00 -0.966549D+00 -0.117260D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.136396D+01  0.165709D+01  0.424746D+00  0.274596D+01  0.850273D+01
      2   0.208271D+01 -0.164169D+01 -0.222820D+01 -0.101602D+00  0.872092D+01
      3  -0.247070D+01 -0.511919D+01  0.107255D+01  0.162803D+01 -0.412101D+02
                 6             7             8             9            10 
      1  -0.220844D+01  0.992367D+00  0.483600D+01  0.127307D+00 -0.128732D+01
      2   0.103516D+02 -0.898302D+01  0.135972D+02  0.145222D+02 -0.845430D+00
      3  -0.114556D+02  0.148100D+01 -0.938609D+01 -0.132987D+02  0.369540D+01
                11            12            13            14            15 
      1  -0.740456D+01 -0.408969D+01 -0.452936D+01 -0.160752D+02  0.813424D+00
      2   0.251450D+01  0.308537D+01  0.651678D-01 -0.376736D+01 -0.242076D+01
      3  -0.478566D+01 -0.255646D+01  0.524480D+01  0.798537D+01  0.583208D+01
                16            17            18            19            20 
      1  -0.539546D+01  0.172162D+02  0.137722D+02 -0.131120D+01 -0.164722D+01
      2  -0.118207D+01 -0.271756D+01 -0.530108D+01 -0.570754D+00  0.539332D+01
      3  -0.665610D+00  0.885580D+01  0.108415D+02  0.941325D+01 -0.675155D+01
                21            22            23            24            25 
      1  -0.216448D-01 -0.235911D+01 -0.109619D+02 -0.197225D+01 -0.247202D+01
      2   0.206480D+01  0.429075D+01 -0.104061D+02 -0.111678D+02 -0.503795D+01
      3  -0.454247D+01  0.352501D+01  0.405162D+02  0.128229D+02 -0.308228D+01
                26            27            28            29            30 
      1   0.471683D+01  0.262036D+01 -0.162027D+01 -0.547091D+01 -0.441557D+01
      2  -0.999542D+01 -0.158835D+02 -0.520165D+01 -0.899646D+01 -0.572119D+01
      3   0.127777D+02  0.105901D+02  0.109188D+02 -0.209834D+01  0.102438D+02
                31            32            33            34            35 
      1  -0.315047D+01 -0.573708D+01  0.169712D+01 -0.926323D+01  0.130309D+02
      2  -0.809913D+01 -0.268179D+01  0.414549D+01 -0.159348D+02  0.132744D+02
      3   0.123993D+02 -0.283385D+02  0.547167D+01  0.101603D+02  0.994508D+01
                36            37            38            39            40 
      1   0.907548D+01 -0.886212D+00  0.189898D+00  0.468930D+01 -0.413597D+01
      2   0.145096D+02  0.784912D+01  0.337628D+01  0.348450D+01 -0.290231D+01
      3  -0.426826D+01 -0.134535D+02 -0.864609D+01 -0.715043D+00  0.820039D+01
                41            42            43            44            45 
      1   0.117572D+01 -0.114407D+02  0.748421D+01  0.851678D+00  0.425018D+01
      2   0.297299D+01 -0.466521D+01 -0.948887D+01 -0.407259D+01  0.439743D+01
      3   0.133045D+01  0.247450D+01  0.517922D+01 -0.192849D+00 -0.664959D+01
                46            47            48            49            50 
      1   0.443448D+01 -0.288149D+00 -0.218554D+01 -0.116495D+01 -0.188114D+01
      2  -0.124966D+02 -0.301940D+01  0.679629D+01  0.801287D+00 -0.171670D+01
      3   0.113807D+02 -0.502259D+01 -0.188665D+01 -0.250542D+01 -0.150964D+02
                51            52            53            54            55 
      1  -0.225461D+01 -0.251143D+01  0.728679D+01 -0.265166D+01  0.267374D+01
      2  -0.113693D+01 -0.109899D+01 -0.297820D+01  0.625084D+01  0.264038D+01
      3   0.284634D+01 -0.720926D+01  0.193062D+01  0.502947D+01 -0.337123D+01
                56            57            58            59            60 
      1   0.240998D+01  0.643382D+01  0.324281D+01  0.405395D+01 -0.695081D+01
      2   0.209314D+01  0.471819D+01  0.158447D+01  0.249460D+01 -0.336199D+01
      3  -0.651018D+01 -0.378181D+01  0.330318D+01  0.124274D+02 -0.534893D+01
                61            62            63            64            65 
      1   0.427989D+01  0.447721D+00 -0.884821D+01 -0.220338D+01  0.291013D+01
      2  -0.244920D+01 -0.252288D+01 -0.520317D+01 -0.139316D+01 -0.424291D+01
      3  -0.511794D+01 -0.641770D+01 -0.122910D+01  0.213960D+01 -0.463103D+01
                66            67            68            69            70 
      1  -0.124547D+02  0.587222D+01 -0.189684D+01  0.657565D+01 -0.102510D+02
      2   0.100480D+02 -0.101667D+01 -0.421119D+01  0.137811D+02  0.265453D+01
      3   0.620659D+01 -0.110656D+01 -0.185359D+01 -0.115353D+01  0.462940D+01
                71            72            73            74            75 
      1   0.783833D+01  0.267629D+01 -0.184192D+01  0.278342D+00 -0.286330D+01
      2   0.858337D+01  0.425739D+01 -0.598203D+00  0.966879D+00  0.552045D+01
      3   0.839907D+00  0.116969D+01  0.522915D+01 -0.164555D+01  0.158653D+01
                76            77            78            79            80 
      1  -0.121095D+00 -0.641822D+00 -0.101585D+01 -0.208571D+01  0.251306D+01
      2  -0.990857D-01  0.279826D+01  0.272665D+01  0.711726D+00 -0.148831D+01
      3   0.952823D+00 -0.224388D+01 -0.155278D+01  0.125161D+01 -0.372943D+01
                81            82            83            84            85 
      1  -0.133071D+01  0.193208D+01  0.274895D+01  0.774420D-01  0.781991D+00
      2   0.125547D+01 -0.792079D+00 -0.513529D+00  0.141631D+01 -0.103273D+01
      3   0.141169D+01  0.217943D+01  0.147024D+01 -0.806064D+00  0.646331D+01
                86            87            88            89            90 
      1   0.124954D+02 -0.605285D+01  0.451907D+00 -0.742525D+01  0.273025D+01
      2   0.804092D+00  0.788499D+00 -0.544398D+00  0.916029D+00  0.255057D+00
      3  -0.480350D+01 -0.461829D+00 -0.269190D+01 -0.164196D+00 -0.183925D+01
                91            92            93            94            95 
      1  -0.319407D+01  0.166243D+01  0.386987D+01  0.378512D+00 -0.105736D+01
      2   0.223205D+01 -0.116266D+01 -0.109021D+01 -0.714646D+00  0.228451D+01
      3  -0.436694D+01  0.475497D+00  0.417447D+01  0.187793D+01 -0.388035D+01
                96            97            98            99           100 
      1  -0.266028D+01  0.329775D+01 -0.424671D+01 -0.176492D+02  0.371286D+01
      2   0.911360D+00 -0.529692D+01  0.278216D+01  0.446752D+01  0.756180D+01
      3  -0.266145D+01  0.705652D+01 -0.573705D+01 -0.691412D+01 -0.130204D+02
               101           102           103           104           105 
      1   0.880559D+00  0.248141D+01  0.735176D+00  0.134788D+01 -0.199781D+00
      2   0.323098D+00  0.755330D+01  0.182869D+01  0.169049D+01  0.200309D+01
      3  -0.496663D+01 -0.388818D+01 -0.370457D+01 -0.313284D+01 -0.257555D+01
               106           107           108           109           110 
      1   0.301733D+01  0.635104D+00  0.141156D+01 -0.261228D+01  0.153693D+01
      2   0.524838D+01  0.212469D-01  0.462000D+01 -0.355690D+01  0.254544D+01
      3  -0.497583D+01 -0.349001D+01 -0.236331D+01 -0.659167D+00 -0.178240D+01
               111           112           113           114           115 
      1   0.305434D+01  0.172685D+01 -0.100877D+01 -0.329494D+01  0.534004D+01
      2   0.531893D+01  0.270648D+01 -0.419705D+01 -0.460743D+01  0.616299D+01
      3  -0.111207D+01 -0.232118D+01  0.742395D+01  0.311063D+01 -0.177679D+01
               116           117           118           119           120 
      1  -0.352341D+01 -0.120163D+02  0.680442D+00  0.184802D+01 -0.427218D+00
      2  -0.850063D+01 -0.209016D+02  0.149823D+01  0.212764D+01  0.365739D+00
      3   0.528722D+01  0.494045D+01  0.297584D+01  0.554434D+01 -0.246954D+01
               121           122           123           124           125 
      1  -0.335496D+00  0.542117D+01 -0.528643D+01  0.118451D+01 -0.426472D+01
      2   0.140425D+01  0.490277D+01 -0.434178D+01  0.352792D+00 -0.600648D+01
      3   0.598600D+00  0.281989D+02 -0.604657D+01 -0.208515D+01 -0.956478D+01
               126           127           128           129           130 
      1   0.210161D+01  0.136169D+01 -0.351000D+00 -0.155985D+00 -0.616315D+00
      2   0.232839D+01  0.961356D+00 -0.139223D+01  0.753694D+00 -0.278296D+01
      3   0.594534D+01 -0.586143D+00  0.522157D+00  0.116871D+00  0.551704D+01
               131           132           133           134           135 
      1   0.593596D+01 -0.204650D+01 -0.197730D+00  0.263085D+01 -0.916168D+00
      2   0.722574D+00  0.140638D+00 -0.220943D+01 -0.125005D-03 -0.567695D+00
      3   0.573133D+00  0.100431D-01  0.787618D+00  0.361702D+00  0.235247D+00
               136           137           138           139           140 
      1  -0.112393D+02  0.762372D+00  0.199728D+01  0.313200D+01  0.134224D+02
      2   0.101765D+02  0.474235D+01  0.118283D+02  0.646018D+01  0.984315D+00
      3  -0.353389D+01  0.219259D+00  0.503287D+01  0.664003D+01  0.842891D+01
               141           142           143           144           145 
      1  -0.118947D+02  0.935577D+00 -0.353015D+01 -0.287218D+01 -0.281988D+01
      2   0.157721D+01  0.647186D+01  0.308397D+01 -0.453038D+01  0.120721D+02
      3  -0.390068D+01  0.424085D+01 -0.230121D+01 -0.367552D+01 -0.131608D+02
               146           147           148           149           150 
      1  -0.832432D-01  0.262697D+01 -0.936478D+00 -0.385484D+01 -0.395990D+01
      2  -0.911606D+00 -0.522115D+01 -0.233036D+01  0.300927D+01  0.526324D+01
      3   0.272809D+01  0.388841D+01  0.126232D+02  0.214993D+02 -0.252255D+01
               151           152           153           154           155 
      1   0.436875D+01  0.818985D+00  0.765755D+01 -0.122445D+01  0.542126D+00
      2  -0.144051D+02  0.369059D+01 -0.158846D+02 -0.129480D+01  0.763823D+00
      3   0.480694D+01 -0.282075D+01 -0.772664D+01 -0.768536D+01 -0.103581D+01
               156           157           158           159           160 
      1   0.255602D+01  0.470985D+00 -0.160349D+01 -0.304902D+01  0.169006D+01
      2   0.335890D+01  0.418973D+00 -0.105844D+01 -0.203974D+01  0.254926D+00
      3   0.278654D+00  0.368620D+01  0.778436D+00  0.623042D+00  0.498802D+00
               161           162           163           164           165 
      1  -0.602056D+00  0.377593D+00  0.351628D+01  0.380053D+01  0.401669D+01
      2  -0.111247D+01  0.131325D+00 -0.100151D+02 -0.151071D+01 -0.368788D+01
      3   0.120655D+01 -0.443692D+00 -0.327669D+01 -0.268767D+01 -0.229977D+01
               166           167           168           169           170 
      1   0.214016D+01  0.217207D+01  0.620736D+00  0.360863D+01  0.316696D+01
      2  -0.219438D+01 -0.107868D+01 -0.148792D+01 -0.668103D+01 -0.127044D+01
      3   0.423622D+00 -0.298726D+00 -0.609641D+00 -0.158226D+01 -0.167007D+01
               171           172           173           174           175 
      1   0.397480D+01 -0.154948D+01 -0.430207D+01  0.687382D+00 -0.267662D+01
      2  -0.293925D+01  0.962225D+01  0.374491D+01 -0.451773D+01  0.403059D+01
      3  -0.180858D+01  0.454764D+01  0.655690D+00 -0.268949D+01  0.374477D+01
               176           177           178           179           180 
      1  -0.399411D+01  0.202765D+00  0.869804D+00  0.265618D+01 -0.460331D+00
      2   0.362769D+01 -0.397216D+01 -0.519840D+01 -0.313969D+01  0.415604D+01
      3   0.103446D+01 -0.189863D+01 -0.251614D+01 -0.421972D+00  0.233286D+01
               181           182           183           184           185 
      1   0.596076D+01  0.358075D+01  0.118764D+01  0.332259D+01  0.181513D+01
      2  -0.175849D+02 -0.387289D+01 -0.386889D+01 -0.548780D+01 -0.259830D+01
      3  -0.266113D+01 -0.145348D+01 -0.134032D+01  0.110379D+01 -0.219008D+00
               186           187           188           189           190 
      1   0.861969D+00  0.226438D+01  0.268339D+01  0.261616D+01 -0.634512D+00
      2  -0.652222D+00 -0.733715D+01 -0.117497D+01 -0.498626D+01 -0.728270D+00
      3   0.198258D+00 -0.850017D+00 -0.589688D+00 -0.463529D+00 -0.826552D+00
               191           192           193           194           195 
      1  -0.816536D+00 -0.523111D+00 -0.181069D+01 -0.161447D+02  0.105524D+01
      2   0.137366D+01 -0.416201D+00  0.265392D+01 -0.207279D+01  0.272383D+01
      3  -0.449353D+00 -0.600772D+00  0.287008D+01 -0.964089D+01  0.368065D+01
               196           197           198           199           200 
      1  -0.437658D-01  0.296867D+01 -0.197609D+01  0.560320D+01 -0.439376D+01
      2  -0.150786D+01  0.985559D+00 -0.434807D+00  0.630558D+01 -0.199581D+01
      3  -0.460159D+00  0.139271D+01 -0.120657D+01  0.449880D+01 -0.421094D+01
               201           202           203           204           205 
      1  -0.407255D+01 -0.309813D+01  0.246173D+01  0.305455D+01 -0.348868D+01
      2  -0.269015D+00 -0.317602D+01  0.290332D+00 -0.111313D+01 -0.448169D+01
      3  -0.346069D+01 -0.163971D+01  0.198310D+01  0.237124D+01 -0.245590D+01
               206           207           208           209           210 
      1   0.376051D+01  0.509020D+01 -0.204494D+01  0.191001D+00 -0.139301D+01
      2  -0.382992D-01  0.141849D+00  0.307749D+01  0.747605D+00  0.419930D+01
      3   0.212360D+01  0.339707D+01  0.246392D+01 -0.123936D+01  0.126707D+01
               211           212           213           214           215 
      1  -0.465835D-01 -0.100591D+01  0.971063D+00 -0.156441D+01  0.391435D+01
      2   0.132944D+01  0.254930D+01 -0.313106D+01  0.200423D+01 -0.250543D+01
      3  -0.757857D+00  0.660072D-01 -0.247936D+01  0.842074D+00 -0.372934D+01
               216           217           218           219           220 
      1  -0.861539D+01  0.230916D+01 -0.600419D+00 -0.139289D+01 -0.312327D+00
      2   0.206838D+02 -0.942272D+01  0.131657D+01  0.831953D+01  0.257321D+01
      3   0.403723D+01  0.120137D+02 -0.624018D+01 -0.350862D+01 -0.570952D+01
               221           222           223           224           225 
      1   0.893780D+00 -0.290584D+00 -0.204263D+01  0.120262D+01  0.821013D+00
      2  -0.233514D+01 -0.371333D+01  0.630391D+01 -0.148931D+01 -0.579559D+01
      3   0.284983D+01  0.240661D+01 -0.450422D+01  0.392034D+01  0.385467D+01
               226           227           228           229           230 
      1   0.920540D+00  0.358742D+00 -0.107738D+00  0.549779D+00  0.385680D+01
      2  -0.138443D+01 -0.460937D+00  0.130069D+01 -0.209710D+00 -0.172860D+01
      3  -0.234478D+01 -0.157166D+01 -0.524230D+00 -0.241325D+01 -0.244153D+02
               231           232           233           234 
      1  -0.438664D+01 -0.508055D+00 -0.350513D+00  0.348129D+00
      2   0.339880D+01  0.102747D+01  0.211597D+01  0.255359D+00
      3   0.101460D+01 -0.960899D+00  0.157388D+01 -0.189848D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.141262D+02  0.315721D+01 -0.226156D+01  0.515769D+01 -0.257459D+02
      2   0.911920D+01 -0.765802D+00  0.229148D+01  0.166346D+01  0.311813D+02
      3   0.500701D+01 -0.239141D+01 -0.299183D-01 -0.682115D+01 -0.543546D+01
      4  -0.668569D+01 -0.178576D+00 -0.117121D+02 -0.321089D+01  0.497153D+02
      5  -0.161137D+02 -0.782839D+01 -0.555501D+01 -0.112147D+02  0.484220D+01
      6  -0.582117D+01 -0.765138D+01 -0.551253D+01 -0.474414D+01  0.663459D+01
                 6             7             8             9            10 
      1  -0.121837D+02 -0.432073D+01 -0.137599D+02 -0.178269D+02  0.106933D+01
      2   0.916512D+01  0.237242D+01  0.205195D+01  0.230703D+01  0.329144D+01
      3   0.301860D+01  0.194831D+01  0.117080D+02  0.155199D+02 -0.436077D+01
      4   0.437376D+01 -0.186816D+02  0.216248D+01  0.106966D+02 -0.135928D+01
      5   0.566877D+01 -0.467831D+01  0.716822D+01  0.880585D+01  0.200731D+01
      6   0.733421D+01 -0.363306D+01  0.110588D+02  0.549683D+01  0.274233D+01
                11            12            13            14            15 
      1  -0.358358D+01 -0.103527D+02  0.193684D+01  0.381329D+02  0.217812D+01
      2  -0.515610D+01  0.998207D+01 -0.678735D+01 -0.579079D+02  0.725378D+01
      3   0.873968D+01  0.370585D+00  0.485051D+01  0.197750D+02 -0.943189D+01
      4   0.496983D+01  0.498458D+01  0.720799D+01 -0.187092D+02  0.470105D+01
      5   0.207705D+01 -0.622780D+00  0.279008D+01  0.264048D+00  0.230051D+01
      6   0.149812D+02  0.129257D+02  0.700890D+01  0.487249D+01 -0.648473D+01
                16            17            18            19            20 
      1  -0.969442D+01 -0.789481D+00  0.204954D+02  0.141976D+02 -0.612574D+00
      2   0.667979D+01  0.215891D+02 -0.682308D+01 -0.114684D+02 -0.226702D+01
      3   0.301463D+01 -0.207997D+02 -0.136723D+02 -0.272920D+01  0.287959D+01
      4   0.450392D+01  0.915260D+01  0.382856D+01 -0.476315D+01  0.582963D+01
      5   0.445183D+00  0.463069D+01  0.573330D+01  0.470059D+00  0.715447D+01
      6   0.120026D+02 -0.185873D+02 -0.256647D+02 -0.295106D+01 -0.548782D+01
                21            22            23            24            25 
      1   0.371888D+01  0.991413D+00  0.108776D+02  0.108486D+02 -0.213956D+01
      2  -0.267120D+01 -0.196882D+01 -0.804006D+01 -0.188651D+01 -0.369949D+00
      3  -0.104768D+01  0.977411D+00 -0.283755D+01 -0.896212D+01  0.250951D+01
      4   0.475237D+01  0.982906D-01 -0.513282D+02 -0.146165D+02 -0.113966D+01
      5   0.541289D+01  0.404168D+01 -0.102579D+02 -0.102404D+02  0.118085D+02
      6  -0.243655D+00 -0.142681D+01 -0.815675D+01 -0.108334D+01 -0.359190D+00
                26            27            28            29            30 
      1   0.101165D+02  0.107615D+02 -0.327518D+02 -0.224083D+01 -0.155419D+02
      2  -0.962536D+01 -0.121030D+02  0.250436D+02 -0.570526D+01  0.989249D+01
      3  -0.491121D+00  0.134156D+01  0.770817D+01  0.794610D+01  0.564941D+01
      4  -0.158912D+02 -0.125030D+02 -0.358125D+01  0.259794D+01 -0.101379D+02
      5  -0.998316D+01 -0.141598D+02 -0.110558D+02 -0.139656D+02 -0.160675D+02
      6   0.354944D+01 -0.554307D+01  0.235843D+01  0.793487D+01  0.650688D+01
                31            32            33            34            35 
      1  -0.156991D+02  0.130570D+02 -0.168700D+02 -0.175135D+02 -0.201714D+02
      2   0.657704D+01 -0.245969D+02  0.160483D+02  0.745834D+01  0.233855D+02
      3   0.912203D+01  0.115399D+02  0.821648D+00  0.100552D+02 -0.321415D+01
      4  -0.231159D+01  0.363158D+02  0.195139D+01 -0.116396D+02  0.590651D+00
      5  -0.134527D+02 -0.427288D+01  0.104605D+02 -0.258067D+02  0.235996D+02
      6   0.331227D+01  0.116986D+02 -0.790479D+01  0.117332D+02 -0.162367D+02
                36            37            38            39            40 
      1  -0.131356D+02 -0.111719D+02 -0.388770D+01  0.135854D+01 -0.110866D+02
      2   0.100206D+02  0.764635D+01  0.318431D+01 -0.222687D+01  0.704506D+00
      3   0.311495D+01  0.352553D+01  0.703394D+00  0.868337D+00  0.103820D+02
      4   0.207682D+02  0.506845D+01  0.257002D+01  0.515438D+01  0.123117D+01
      5   0.299225D+02  0.412732D+01  0.234608D+00  0.271890D+00 -0.581158D+00
      6  -0.158644D+02  0.674621D+01  0.656538D+00  0.247676D+01 -0.526875D+00
                41            42            43            44            45 
      1   0.187674D+02  0.361992D+01  0.725572D+01  0.944403D+01  0.113880D+01
      2  -0.109059D+02 -0.903152D+01 -0.226381D+01 -0.115469D+02  0.374878D+01
      3  -0.786151D+01  0.541160D+01 -0.499192D+01  0.210288D+01 -0.488758D+01
      4  -0.564449D+01 -0.113859D+01  0.849194D+01 -0.294614D+00  0.151305D+01
      5   0.126042D+01  0.430764D+01 -0.370186D+01  0.157739D+01 -0.260863D+00
      6  -0.118643D+02 -0.162737D+02 -0.707291D+00 -0.993271D+01  0.366173D+01
                46            47            48            49            50 
      1  -0.331972D+00 -0.753656D+01 -0.128480D+02 -0.917570D+01 -0.217242D+01
      2  -0.594866D+01  0.170733D+01  0.956111D+01  0.667491D+01  0.113487D+01
      3   0.628063D+01  0.582923D+01  0.328688D+01  0.250079D+01  0.103755D+01
      4  -0.126324D+02  0.202236D+01 -0.856054D+01  0.421805D+01  0.173084D+02
      5  -0.148486D+02 -0.407484D+01  0.607681D+01  0.446675D+00 -0.583414D+01
      6  -0.920076D+01 -0.123539D+00  0.216460D+01 -0.221127D+00 -0.346448D+01
                51            52            53            54            55 
      1  -0.515712D+01 -0.178285D+02 -0.770220D+01  0.928041D+01 -0.792502D+01
      2  -0.698949D+00  0.998914D+01  0.348213D+01 -0.436881D+01 -0.603624D+01
      3   0.585607D+01  0.783935D+01  0.422008D+01 -0.491160D+01  0.139613D+02
      4  -0.755488D+01 -0.799058D+01 -0.759009D+01  0.227639D+01  0.198498D+02
      5  -0.356856D+01  0.809723D+01 -0.102779D+01  0.429608D+01  0.325777D-01
      6   0.532157D+01  0.499763D+01 -0.411432D+00  0.245439D+01  0.107272D+01
                56            57            58            59            60 
      1   0.581663D+01  0.324287D+01  0.383836D+01 -0.128702D+02  0.324566D+01
      2   0.573216D+01 -0.976109D+01  0.394804D+01  0.999688D+01 -0.203618D+01
      3  -0.115488D+02  0.651822D+01 -0.778640D+01  0.287335D+01 -0.120948D+01
      4  -0.227797D+02  0.183937D+01 -0.209868D+02  0.554060D+01  0.281302D+01
      5   0.212118D+01  0.692572D+00 -0.718583D+00  0.222990D+01  0.279786D+00
      6  -0.917700D+01 -0.534529D+01 -0.629755D+01  0.282133D+01  0.253941D-01
                61            62            63            64            65 
      1   0.111742D+01  0.591797D+01  0.151083D+01  0.669025D+01  0.808466D+01
      2  -0.624057D+01 -0.725612D+01  0.797031D+01  0.661510D+01  0.175923D+01
      3   0.512315D+01  0.133815D+01 -0.948114D+01 -0.133053D+02 -0.984389D+01
      4   0.386485D+01  0.389992D+01 -0.771474D+01 -0.448220D+01 -0.118492D+00
      5   0.262581D+01 -0.224658D+01 -0.162670D+01 -0.333383D+01  0.321724D+01
      6  -0.546268D+01  0.482985D+01  0.660470D+01  0.636182D+01  0.133890D+02
                66            67            68            69            70 
      1  -0.300490D+01  0.112673D+02 -0.319557D+01 -0.135597D+01  0.368610D+00
      2   0.141223D+02  0.430217D+01 -0.223339D+01 -0.144726D+01  0.111341D+02
      3  -0.111174D+02 -0.155695D+02  0.542896D+01  0.280323D+01 -0.115027D+02
      4   0.220860D+01  0.259806D+01 -0.304277D+01  0.825518D+01 -0.231918D+01
      5  -0.176165D+02  0.131495D+01  0.566697D+01 -0.131343D+02 -0.132279D+02
      6  -0.101961D+02  0.126832D+02 -0.513024D+01  0.530148D+01 -0.467214D+01
                71            72            73            74            75 
      1  -0.565738D+01 -0.469561D+01  0.342349D+02  0.977680D+01  0.103697D+02
      2   0.377572D+01 -0.141947D+01 -0.188113D+02 -0.447989D+01 -0.893685D+01
      3   0.188167D+01  0.611508D+01 -0.154237D+02 -0.529691D+01 -0.143283D+01
      4   0.452224D+01 -0.267034D+00  0.270236D+02  0.145546D+02  0.113432D+02
      5  -0.628459D+01 -0.460692D+01  0.230661D+02  0.881064D+01  0.162220D+02
      6   0.137076D+00  0.631747D+00  0.779661D+01  0.499294D+01  0.561695D+01
                76            77            78            79            80 
      1   0.477051D+01  0.917643D+00 -0.359410D+00  0.108307D+02  0.295030D+01
      2  -0.451550D+00  0.233766D+01  0.495096D+00 -0.820505D+01  0.608597D+00
      3  -0.431896D+01 -0.325531D+01 -0.135685D+00 -0.262563D+01 -0.355889D+01
      4   0.135233D+02  0.125778D+02  0.859082D+01  0.130766D+02  0.118650D+02
      5   0.619585D+01  0.778535D+01  0.622470D+01  0.150866D+02  0.549382D+01
      6   0.493357D+01  0.656664D+01  0.552146D+01  0.614158D+01  0.472571D+01
                81            82            83            84            85 
      1   0.539513D+01 -0.154175D+01 -0.459167D+01  0.542674D+00 -0.241768D+01
      2  -0.574314D+01  0.741969D+01  0.121348D+02 -0.823351D+00  0.801882D+01
      3   0.348005D+00 -0.587794D+01 -0.754314D+01  0.280677D+00 -0.560114D+01
      4   0.823044D+01  0.609022D+01  0.141722D+02 -0.190360D+01  0.824592D+01
      5   0.113604D+02 -0.250170D+00  0.196244D+00  0.206357D+01 -0.183061D+00
      6   0.537221D+01 -0.188021D+01 -0.135095D+01 -0.145754D+00 -0.626332D+00
                86            87            88            89            90 
      1  -0.448316D+02  0.260977D+01  0.137262D+01  0.112970D+02 -0.795495D+01
      2   0.813807D+02 -0.677011D+01 -0.226137D+01 -0.228758D+02  0.912336D+01
      3  -0.365491D+02  0.416034D+01  0.888745D+00  0.115787D+02 -0.116841D+01
      4   0.202140D+02 -0.216601D+01 -0.331231D+01 -0.585031D+01  0.246502D+01
      5  -0.646481D-01  0.688802D+00  0.149322D+01  0.116862D+01 -0.145102D+01
      6  -0.558328D+01  0.827571D+01 -0.222957D+00  0.148097D+02 -0.266584D+01
                91            92            93            94            95 
      1  -0.232169D+01  0.337310D+01  0.543005D+01  0.157336D+01 -0.144792D+02
      2  -0.147528D+01 -0.172885D+01 -0.218405D+01 -0.145981D+01  0.153180D+02
      3   0.379697D+01 -0.164425D+01 -0.324600D+01 -0.113550D+00 -0.838792D+00
      4  -0.343110D+01  0.482356D+01  0.500447D+01  0.137890D+01  0.110692D+01
      5  -0.306914D+01  0.327732D+01  0.679240D+01  0.737089D+00 -0.998215D+00
      6   0.615858D+01 -0.658276D+01 -0.814481D+01 -0.354364D+01  0.117342D+02
                96            97            98            99           100 
      1  -0.879347D+01  0.669431D+01 -0.167064D+02 -0.269742D+02  0.685218D+02
      2   0.670302D+01 -0.144803D+01  0.683295D+01  0.104767D+01 -0.383481D+02
      3   0.209045D+01 -0.524628D+01  0.987342D+01  0.259265D+02 -0.301737D+02
      4  -0.136706D+01  0.354179D+01 -0.194008D+01 -0.204066D+01 -0.950606D+01
      5  -0.990407D+00  0.553742D+01 -0.244787D+01 -0.380065D+01  0.169912D+02
      6   0.135747D+02 -0.732269D+01  0.254233D+02  0.382936D+02 -0.539979D+01
               101           102           103           104           105 
      1   0.243451D+01  0.157645D+02  0.193919D+02  0.485044D+01  0.471840D+01
      2  -0.283067D+01 -0.976218D+01 -0.118041D+02 -0.180684D+01 -0.439902D+01
      3   0.396154D+00 -0.600230D+01 -0.758778D+01 -0.304359D+01 -0.319381D+00
      4   0.742916D+01 -0.207083D+01  0.555693D+01  0.330615D+01  0.298949D+01
      5   0.318698D+00  0.139471D+02  0.452915D+01  0.360640D+01  0.364297D+01
      6  -0.650629D-01 -0.451821D+01 -0.510285D+00 -0.113849D+01  0.849788D+00
               106           107           108           109           110 
      1   0.243812D+02  0.109868D+01  0.122860D+02  0.145696D+02 -0.520292D+01
      2  -0.151481D+02 -0.306706D+01 -0.995881D+01 -0.103086D+02  0.343026D+01
      3  -0.923318D+01  0.196838D+01 -0.232716D+01 -0.426102D+01  0.177266D+01
      4  -0.438364D+01  0.490961D+01 -0.298926D+01 -0.913475D+01  0.584336D+01
      5   0.180145D+02 -0.104091D+01  0.992911D+01 -0.129581D+02  0.787290D+01
      6  -0.468551D+01  0.243395D+01 -0.193544D+01  0.547379D+01 -0.384743D+01
               111           112           113           114           115 
      1  -0.826077D+01 -0.127820D+01 -0.852081D+00  0.151132D+01 -0.144580D+02
      2   0.558215D+01 -0.773969D+00  0.501419D+01  0.373894D+00  0.109529D+02
      3   0.267862D+01  0.205217D+01 -0.416211D+01 -0.188522D+01  0.350509D+01
      4   0.870386D+01  0.104740D+02 -0.166207D+02 -0.103321D+02  0.184304D+02
      5   0.153295D+02  0.684342D+01 -0.943041D+01 -0.979296D+01  0.258176D+02
      6  -0.558204D+01 -0.459073D+01  0.575629D+01  0.991613D+01 -0.111223D+02
               116           117           118           119           120 
      1   0.594194D+01  0.388999D+01 -0.200838D+01 -0.913509D+01  0.453523D+01
      2  -0.432342D+01 -0.136534D+02  0.275538D+01  0.105078D+02 -0.265913D+01
      3  -0.161852D+01  0.976346D+01 -0.746996D+00 -0.137269D+01 -0.187610D+01
      4  -0.186468D+02 -0.194493D+02 -0.210376D+00 -0.146879D+01 -0.304094D+00
      5  -0.211425D+02 -0.449563D+02  0.240528D+01  0.137675D+01  0.122779D+01
      6   0.155968D+02  0.240692D+02 -0.239969D+01 -0.287465D+01  0.133624D+01
               121           122           123           124           125 
      1  -0.688675D+01 -0.219794D+02  0.767252D+01  0.534118D+01  0.978382D+01
      2   0.585474D+00  0.438271D+02 -0.977929D+01 -0.136178D+01 -0.148165D+02
      3   0.630128D+01 -0.218477D+02  0.210677D+01 -0.397939D+01  0.503265D+01
      4   0.134386D+02 -0.431102D+02  0.699817D+01 -0.359484D+01  0.128744D+02
      5   0.354214D+00  0.100915D+02 -0.834092D+01  0.581538D+01 -0.127166D+02
      6   0.165526D+01 -0.152600D+02  0.969225D+01 -0.289372D+01  0.146566D+02
               126           127           128           129           130 
      1  -0.431017D+01 -0.795978D-01 -0.707602D+00 -0.204962D+00  0.629137D+00
      2   0.474958D+01  0.243539D+01  0.334518D+00  0.346454D+00 -0.154018D+01
      3  -0.439406D+00 -0.235579D+01  0.373084D+00 -0.141492D+00  0.911043D+00
      4  -0.994786D+01 -0.725831D+00  0.739247D+01  0.214557D+01  0.682215D+01
      5   0.259525D+01 -0.990393D+00  0.336416D+01  0.349362D+01  0.317438D+01
      6  -0.592322D+01  0.440186D+01 -0.426319D+00  0.594492D+00 -0.289614D+01
               131           132           133           134           135 
      1  -0.212745D+02 -0.100221D+02  0.411615D+00 -0.872075D+01 -0.101590D+02
      2   0.259038D+02  0.769769D+01  0.315690D+00  0.576900D+01  0.210054D+01
      3  -0.462928D+01  0.232440D+01 -0.727305D+00  0.295174D+01  0.805845D+01
      4  -0.176602D+01 -0.120494D+01  0.185337D+01 -0.121298D+01  0.131067D+00
      5  -0.197802D+01 -0.106579D+01  0.284447D+01 -0.876577D+00 -0.182972D+01
      6   0.245517D+02  0.157204D+02 -0.962037D+00  0.147194D+02  0.114258D+02
               136           137           138           139           140 
      1   0.559570D+01  0.634172D+01  0.979068D+01  0.855428D+01  0.124321D+02
      2   0.150521D+02 -0.514045D+01 -0.101640D+02 -0.932692D+01 -0.174318D+02
      3  -0.206478D+02 -0.120126D+01  0.373365D+00  0.772646D+00  0.499966D+01
      4   0.889146D+01  0.243133D+01  0.214731D+01  0.454592D+00 -0.142502D+02
      5   0.120663D+02 -0.778240D+01 -0.198209D+02 -0.114147D+02  0.552342D+01
      6  -0.546793D+01  0.274643D+01  0.313072D+01  0.487553D+01  0.257184D+02
               141           142           143           144           145 
      1  -0.174339D+01  0.932091D+01  0.178769D+01 -0.136012D+02 -0.148126D+02
      2   0.149539D+02 -0.843775D+01  0.881671D+01  0.183330D+01  0.123800D+02
      3  -0.132105D+02 -0.883166D+00 -0.106044D+02  0.117679D+02  0.243257D+01
      4   0.625945D+01  0.373072D+01  0.433586D+01  0.145906D+01  0.196567D+02
      5   0.801223D+01 -0.189621D+02  0.445460D+01  0.297763D+01  0.233208D+02
      6  -0.855464D+01  0.111919D+01 -0.273090D+01 -0.111000D+02  0.693219D+01
               146           147           148           149           150 
      1   0.169625D+02  0.227411D+02  0.270155D+02  0.109716D+02 -0.308337D+01
      2  -0.102193D+02 -0.103028D+02 -0.199377D+02 -0.255204D+02  0.316530D+01
      3  -0.674328D+01 -0.124382D+02 -0.707774D+01  0.145488D+02 -0.819348D-01
      4   0.230583D+01  0.372419D+01 -0.411389D+01 -0.319207D+02  0.622835D+01
      5   0.142151D+01 -0.898647D+01 -0.937808D+00  0.559204D+01  0.915008D+01
      6   0.777591D+00 -0.193219D+01  0.146233D+00 -0.870123D+00  0.295462D+01
               151           152           153           154           155 
      1   0.276356D+02 -0.171028D+01 -0.116636D+02  0.210259D+02 -0.805869D+01
      2  -0.112398D+02  0.268759D+01  0.142300D+02  0.416697D+00 -0.751318D+01
      3  -0.163959D+02 -0.977305D+00 -0.256643D+01 -0.214426D+02  0.155719D+02
      4   0.315281D+01  0.641237D+01  0.571110D+01 -0.326686D+02  0.275177D+02
      5  -0.135138D+02  0.739880D+01 -0.230330D+02  0.291017D+01 -0.251381D+01
      6  -0.330287D+01  0.355154D+01 -0.698461D+01 -0.322429D+01  0.340185D+01
               156           157           158           159           160 
      1  -0.564960D+00 -0.390392D+01 -0.745645D-01 -0.250035D-01 -0.677218D+00
      2   0.955755D+00 -0.920141D+01  0.167929D+02  0.794253D+00  0.603840D+00
      3  -0.390795D+00  0.131053D+02 -0.167183D+02 -0.769249D+00  0.733787D-01
      4  -0.971024D+00  0.233555D+02 -0.256159D+02  0.292354D+00 -0.453036D+00
      5   0.534094D+01 -0.186746D+01  0.144695D+01 -0.222053D+01  0.595811D+01
      6  -0.310440D+01  0.274223D+01 -0.317404D+01  0.469235D+01 -0.411014D+01
               161           162           163           164           165 
      1   0.163817D-03  0.302236D+00  0.271820D+01  0.114078D+01 -0.403413D+01
      2   0.147983D+01  0.578586D+00 -0.130401D+02 -0.203822D+01 -0.141258D+02
      3  -0.147999D+01 -0.880822D+00  0.103219D+02  0.897434D+00  0.181600D+02
      4  -0.267217D+00 -0.534756D+01 -0.127128D+01  0.362192D+01 -0.224033D+01
      5  -0.405233D+01  0.439103D+00  0.185004D+02  0.543671D+00  0.191188D+02
      6   0.615017D+01 -0.218258D+01 -0.357804D+01  0.267517D+01 -0.376006D+01
               166           167           168           169           170 
      1  -0.919471D+00 -0.696005D+00 -0.138105D+01 -0.288160D+01  0.452062D+00
      2  -0.236287D+01 -0.256304D+01 -0.316087D+01 -0.118876D+02 -0.131540D+01
      3   0.328235D+01  0.325905D+01  0.454192D+01  0.147692D+02  0.863341D+00
      4   0.306990D+01  0.551240D+00  0.162647D+01 -0.133580D+01  0.183822D+01
      5   0.150627D+01  0.355600D+01  0.272845D+01  0.164371D+02  0.154938D+01
      6   0.237984D+01  0.133018D+01  0.540770D+01 -0.194311D+01  0.480499D+01
               171           172           173           174           175 
      1  -0.131066D+02 -0.270833D+01 -0.575583D+01  0.839103D+01 -0.451286D+01
      2  -0.207611D+02 -0.352515D+01  0.103214D+01  0.333783D+01  0.719234D+00
      3   0.338677D+02  0.623347D+01  0.472369D+01 -0.117289D+02  0.379363D+01
      4  -0.187741D+01  0.628530D+01  0.521007D+01 -0.546523D+01  0.471513D+01
      5   0.216201D+02 -0.132196D+02 -0.644916D+01  0.137064D+02 -0.578025D+01
      6  -0.563277D+01 -0.939333D+01 -0.109204D+02  0.122586D+02 -0.848610D+01
               176           177           178           179           180 
      1  -0.878080D+01  0.895445D+01  0.450895D+01  0.688521D+01 -0.123529D+02
      2   0.643052D+01 -0.504437D+00  0.196426D+01  0.436688D+00 -0.670081D+01
      3   0.235027D+01 -0.845002D+01 -0.647321D+01 -0.732190D+01  0.190537D+02
      4   0.394380D+01 -0.368564D+01 -0.251495D+01 -0.273942D+01  0.330872D+01
      5  -0.587279D+01  0.625065D+01  0.941768D+01  0.462974D+01 -0.892156D+01
      6  -0.130952D+02  0.135931D+02  0.675368D+01  0.982478D+01 -0.147728D+02
               181           182           183           184           185 
      1  -0.449723D+01 -0.318380D+00 -0.105700D+02 -0.206334D+01 -0.326117D+01
      2  -0.487974D+01 -0.352654D+00 -0.502030D+01  0.793779D+00  0.198294D+01
      3   0.937698D+01  0.671034D+00  0.155903D+02  0.126956D+01  0.127823D+01
      4  -0.743105D+01 -0.536271D+00 -0.234839D+01 -0.719873D+00  0.843324D-02
      5   0.120806D+02  0.259514D+01  0.640419D+01  0.426258D+01  0.120042D+01
      6   0.209318D+01  0.417014D+01 -0.280223D+01  0.282934D+01  0.547519D-01
               186           187           188           189           190 
      1  -0.290407D+01 -0.665442D+01 -0.147134D+01 -0.778901D+01 -0.108348D+01
      2  -0.385151D+01 -0.368752D+01 -0.178727D+01 -0.676451D+01  0.764642D+00
      3   0.675557D+01  0.103419D+02  0.325861D+01  0.145535D+02  0.318842D+00
      4  -0.729520D+00 -0.243687D+01  0.143344D+00 -0.293624D+01  0.260843D+01
      5  -0.123332D+01  0.859007D+01  0.270033D+00  0.560243D+01 -0.318791D+01
      6   0.276293D+01 -0.254391D+00  0.303812D+01  0.109210D+01 -0.346452D+01
               191           192           193           194           195 
      1   0.190280D+01 -0.136519D+01  0.327339D+00 -0.211851D+02  0.113554D+02
      2  -0.458203D+00  0.181253D+01  0.193333D+01  0.303404D+02 -0.625455D+01
      3  -0.144459D+01 -0.447333D+00 -0.226067D+01 -0.915534D+01 -0.510084D+01
      4   0.672904D+01 -0.239099D+01  0.841041D+01  0.177531D+02 -0.644854D+01
      5  -0.344131D+01  0.551626D+01 -0.441206D+01 -0.608101D+01  0.508680D+01
      6  -0.175788D+01  0.619609D+00 -0.440096D+01 -0.354260D+02  0.191611D+02
               196           197           198           199           200 
      1  -0.334867D+00  0.540023D+01 -0.468122D+01  0.145116D+02 -0.301193D+01
      2   0.128180D+01 -0.956598D+00  0.155675D+01 -0.201498D+02  0.360528D+01
      3  -0.946931D+00 -0.444363D+01  0.312447D+01  0.563821D+01 -0.593351D+00
      4  -0.891295D+00 -0.232627D+01  0.302462D+01 -0.106344D+01  0.485736D+01
      5   0.395192D+01  0.248922D+01 -0.287542D+01 -0.284939D+02  0.480918D+01
      6   0.107226D+01  0.110922D+02 -0.745807D+01  0.357948D+01 -0.607100D+01
               201           202           203           204           205 
      1  -0.373660D+01 -0.479118D+01 -0.412689D-01 -0.241340D+00 -0.223817D+01
      2   0.164878D+02  0.682496D+01 -0.131045D+01 -0.812960D+01  0.123971D+02
      3  -0.127513D+02 -0.203378D+01  0.135172D+01  0.837094D+01 -0.101589D+02
      4  -0.469050D-01  0.459718D+01 -0.255714D+01 -0.444420D+01 -0.513533D+00
      5   0.257832D+02  0.105349D+02 -0.697604D+01 -0.101249D+02  0.198535D+02
      6  -0.961704D+00 -0.587235D+01  0.219237D+01  0.665271D+01 -0.162761D+01
               206           207           208           209           210 
      1  -0.250883D+00 -0.204638D+01  0.765953D+01 -0.266425D+01  0.583134D+01
      2  -0.383313D+01 -0.171253D+02 -0.757637D+01  0.148655D+01 -0.616524D+01
      3   0.408402D+01  0.191717D+02 -0.831541D-01  0.117770D+01  0.333899D+00
      4  -0.275413D+01 -0.117973D+01 -0.148255D+01  0.110464D+01  0.885220D+00
      5  -0.406822D+01 -0.226453D+02  0.821598D+01 -0.615957D+00  0.131808D+02
      6   0.512975D+01  0.246198D+01  0.112918D+01  0.399179D+00  0.210373D+01
               211           212           213           214           215 
      1  -0.684920D+01 -0.112839D+01 -0.905520D+00  0.104920D+02  0.975173D+00
      2   0.445237D+01  0.132570D+01  0.209059D+01 -0.905955D+01  0.151373D+01
      3   0.239683D+01 -0.197308D+00 -0.118507D+01 -0.143244D+01 -0.248890D+01
      4   0.233718D+01  0.122362D+01  0.429548D+01  0.407885D+01  0.647098D+01
      5  -0.167246D+01  0.382770D+01 -0.407447D+01  0.187154D+02 -0.918270D+00
      6   0.789389D+00  0.816406D-01  0.299918D+01  0.454038D+01  0.396850D+01
               216           217           218           219           220 
      1   0.314345D+01  0.620128D+02 -0.723891D+01 -0.158388D+02 -0.215114D+02
      2  -0.167047D+02 -0.335302D+02  0.507565D+01  0.886922D+01  0.125523D+02
      3   0.135613D+02 -0.284826D+02  0.216327D+01  0.696956D+01  0.895914D+01
      4   0.133933D+00 -0.915656D+00  0.807919D+01  0.460097D+00  0.974099D+01
      5   0.372936D+02 -0.159758D+02  0.161199D+01  0.124544D+02  0.433246D+01
      6   0.106904D+02 -0.356260D+01  0.158713D+00  0.266340D+01 -0.168901D-01
               221           222           223           224           225 
      1   0.614628D+01  0.401477D+01 -0.265263D+02  0.131813D+01  0.119442D+02
      2  -0.918152D+00 -0.294908D+01  0.147578D+02 -0.189027D+01 -0.976743D+01
      3  -0.522813D+01 -0.106570D+01  0.117685D+02  0.572145D+00 -0.217680D+01
      4  -0.278748D+01 -0.413621D+01 -0.128818D+01 -0.613619D+01 -0.183964D+01
      5  -0.385964D+01 -0.582670D+01  0.164120D+02 -0.260202D+01 -0.108169D+02
      6   0.240718D+00  0.351539D+00  0.265444D+01  0.622502D+00 -0.136442D+01
               226           227           228           229           230 
      1   0.422361D+01  0.544088D+01 -0.261922D+01  0.569926D+01 -0.125463D+02
      2   0.132273D+01 -0.127701D+01  0.130531D+01  0.574943D+01  0.381907D+02
      3  -0.554634D+01 -0.416387D+01  0.131391D+01 -0.114487D+02 -0.256443D+02
      4   0.578459D+01  0.946168D+01 -0.576938D+00  0.211219D+02  0.477017D+02
      5  -0.231238D+01  0.292980D+00  0.183565D+01  0.117132D+01 -0.126766D+01
      6  -0.502990D+00  0.525909D-01 -0.148749D+00  0.118883D+01  0.353341D+01
               231           232           233           234 
      1   0.121369D+01 -0.472011D+01  0.488229D+00 -0.651785D+00
      2  -0.167638D+01  0.144721D+01 -0.221864D+01  0.182604D+01
      3   0.462691D+00  0.327290D+01  0.173041D+01 -0.117426D+01
      4  -0.116604D+01 -0.223026D+01 -0.352844D+01  0.454571D+01
      5   0.581135D+01  0.422202D+01  0.489122D+01  0.793500D+00
      6   0.639455D+01  0.218051D+01  0.621804D+01 -0.538495D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.684292D-01      0.173930D+00      0.580167D+00
   x         -0.401354D-01     -0.102014D+00     -0.340282D+00
   y         -0.467110D-01     -0.118727D+00     -0.396032D+00
   z         -0.298293D-01     -0.758186D-01     -0.252904D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111426D+03      0.165117D+02      0.183717D+02
   aniso      0.156479D+02      0.231878D+01      0.257999D+01
   xx         0.117628D+03      0.174307D+02      0.193943D+02
   yx        -0.373203D+00     -0.553030D-01     -0.615329D-01
   yy         0.114130D+03      0.169123D+02      0.188175D+02
   zx         0.401355D+00      0.594747D-01      0.661746D-01
   zy         0.433345D+01      0.642151D+00      0.714489D+00
   zz         0.102521D+03      0.151920D+02      0.169034D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115299D+03      0.170855D+02      0.190102D+02
   aniso      0.160237D+02      0.237447D+01      0.264196D+01
   xx         0.121253D+03      0.179679D+02      0.199919D+02
   yx        -0.861663D-01     -0.127685D-01     -0.142069D-01
   yy         0.118442D+03      0.175513D+02      0.195285D+02
   zx         0.384705D+00      0.570074D-01      0.634293D-01
   zy         0.462431D+01      0.685251D+00      0.762445D+00
   zz         0.106202D+03      0.157374D+02      0.175103D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.11970439          0.28759085         -3.25621449
     6         -1.12813503         -1.45880060         -3.09170145
     6          2.31428899          0.99568301         -1.15442982
     6          4.50336006          2.77770400         -1.07728152
     6          1.35558775         -0.10966715          1.30605507
     6         -1.60594247          0.11872988          1.44856461
     6         -1.59661981         -2.24152505         -0.34074717
     6          0.96616146         -2.98731495          0.86507126
     1          1.70352601          0.97621843         -5.09635134
     1         -0.81818787         -3.14500436         -4.25338500
     1         -2.80794615         -0.53424368         -3.87599503
     1          5.03322410          3.41539256         -2.96384426
     1          6.15359602          1.88972941         -0.20101976
     1          4.05278469          4.44084405          0.06844186
     1          2.44518721          0.51387979          2.94091691
     6         -2.86955020          2.54029520          0.55253151
     6         -2.61744122         -0.51606640          4.07881181
     1         -3.17968603         -3.55414210         -0.17674992
     1          0.75278542         -4.05901271          2.60330337
     1          2.34304751         -3.91610837         -0.35094306
     1         -2.19085586          3.16268051         -1.28411378
     1         -2.52916758          4.06706835          1.90231013
     1         -4.91448477          2.27232330          0.42907070
     1         -1.81228831         -2.23749301          4.86695002
     1         -4.66795611         -0.75681813          4.01471388
     1         -2.21208090          1.02492136          5.39274449

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.684292D-01      0.173930D+00      0.580167D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.684292D-01      0.173930D+00      0.580167D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111426D+03      0.165117D+02      0.183717D+02
   aniso      0.156479D+02      0.231878D+01      0.257999D+01
   xx         0.113377D+03      0.168007D+02      0.186933D+02
   yx         0.664516D+01      0.984712D+00      0.109564D+01
   yy         0.105289D+03      0.156023D+02      0.173599D+02
   zx        -0.212896D+01     -0.315480D+00     -0.351018D+00
   zy         0.185281D+01      0.274559D+00      0.305488D+00
   zz         0.115613D+03      0.171320D+02      0.190620D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115299D+03      0.170855D+02      0.190102D+02
   aniso      0.160237D+02      0.237447D+01      0.264196D+01
   xx         0.117063D+03      0.173469D+02      0.193010D+02
   yx         0.663648D+01      0.983426D+00      0.109421D+01
   yy         0.108871D+03      0.161331D+02      0.179505D+02
   zx        -0.193439D+01     -0.286647D+00     -0.318938D+00
   zy         0.217098D+01      0.321706D+00      0.357946D+00
   zz         0.119963D+03      0.177767D+02      0.197792D+02

 ----------------------------------------------------------------------
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 Standing in the middle of the road is very dangerous;
 you get knocked down by the traffic from both sides.
                                -- Margaret Thatcher
 Job cpu time:       0 days  8 hours  3 minutes 39.7 seconds.
 Elapsed time:       0 days  0 hours 30 minutes 17.5 seconds.
 File lengths (MBytes):  RWF=    292 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 14:26:20 2021.
